CAS No.: 2777-65-3 — 10-Undecynoic acid (10-十一碳炔酸)

1. Primary Information

English name:	10-Undecynoic acid
CAS No.:	2777-65-3
Molecular formula:	C₁₁H₁₈O₂
Molecular weight:	182.26 g/mol
SMILES:	C#CCCCCCCCCC(=O)O
Structural class:
Other identifiers:	10-undecynoic acid 10-undecynoic acid, sodium salt

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	≥95%	64	2-8℃	in stock	-
Kehua Intelligence	250mg	≥95%	96	2-8℃	in stock	-
Kehua Intelligence	1g	≥95%	144	2-8℃	in stock	-
Kehua Intelligence	5g	≥95%	320	2-8℃	in stock	-
Kehua Intelligence	25g	≥95%	1120	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 31 30 0 0 0 0 0 0 0999 V2000 -6.2028 0.2880 0.2656 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0085 -1.4259 -0.6229 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0097 0.0362 -0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 0.8907 0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3034 0.7054 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5693 0.2531 -0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5075 -0.1759 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 1.1514 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8377 0.4817 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0821 0.5620 -0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0428 -0.3409 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4489 -0.6987 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7484 -1.7270 0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -0.9148 0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.2101 -1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1321 1.8571 -0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 1.1041 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2944 0.9102 1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3957 1.6704 -0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6955 -0.7069 0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 0.0350 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 -1.1403 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 -0.3966 -1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8943 1.3267 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6174 2.1287 -0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9161 1.4531 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8799 0.6392 1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9772 0.3993 -1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8915 1.2889 -0.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9889 -0.2351 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0136 -2.6391 1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 30 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 12 13 3 0 0 0 0 13 31 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

undec-10-ynoic acid

4.2 InChI

InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2,(H,12,13)

4.3 InChIKey

OAOUTNMJEFWJPO-UHFFFAOYSA-N

4.4 Canonical SMILES

C#CCCCCCCCCC(=O)O

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)