CAS No.: 112-05-0 — Nonanoic acid (壬酸)

1. Primary Information

English name:	Nonanoic acid
CAS No.:	112-05-0
Molecular formula:	C₉H₁₈O₂
Molecular weight:	158.24 g/mol
SMILES:	CCCCCCCCC(=O)O
Structural class:
Other identifiers:	nonanoic acid pelargonic acid pelargonic acid, aluminum salt pelargonic acid, cadmium salt pelargonic acid, calcium salt

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	GC≥99%	416	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 28 0 0 0 0 0 0 0999 V2000 5.1958 -0.6037 -0.0049 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 1.3758 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0147 0.2759 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3299 -0.5115 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2294 -0.6163 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 0.3797 0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5457 0.1709 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8853 -0.4106 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -0.6799 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1271 0.4676 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0695 0.1519 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 0.9559 -0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 0.9028 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3544 -1.1265 -0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3576 -1.2027 0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1975 -1.2949 0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2117 -1.2443 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5507 0.9949 0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 1.0708 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5618 0.7946 0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5567 0.8677 -0.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9251 -1.0867 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9039 -1.0399 -0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8107 -1.2983 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8399 -1.3353 0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1625 1.0860 0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0303 -0.1499 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1406 1.1302 -0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 -0.0519 -0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 29 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 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

nonanoic acid

4.2 InChI

InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)

4.3 InChIKey

FBUKVWPVBMHYJY-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCCCCCC(=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)