CAS No.: 6915-15-7 — Malic Acid (DL-苹果酸)

1. Primary Information

English name:	Malic Acid
CAS No.:	6915-15-7
Molecular formula:	C₄H₆O₅
Molecular weight:	134.09 g/mol
SMILES:	C(C(C(=O)O)O)C(=O)O
Structural class:
Other identifiers:	calcium (hydroxy-1-malate) hexahydrate malate malic acid malic acid, (R)-isomer malic acid, calcium salt, (1:1), (S)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	98	Buy now	2-8℃	in stock	-
Kehua Intelligence	200mg	HPLC≥98%	520	Buy now	2-8℃	in stock	-
Kehua Intelligence	100g	BR，99%	28	Buy now	2-8℃	in stock	-
Kehua Intelligence	500g	BR，99%	72	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-hydroxybutanedioic acid

4.2 InChI

InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)

4.3 InChIKey

BJEPYKJPYRNKOW-UHFFFAOYSA-N

4.4 Canonical SMILES

C(C(C(=O)O)O)C(=O)O

4.5 Isomeric SMILES

4.6 SDF file

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 9 8 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 0.866025 -1.5 0 0
M  V30 2 C -3.54844e-16 -2 0 0
M  V30 3 C -0.866025 -1.5 0 0
M  V30 4 O -0.866025 -0.5 0 0
M  V30 5 O -1.73205 -2 0 0
M  V30 6 O -4.21244e-16 -3 0 0
M  V30 7 C 0.866025 -0.5 0 0
M  V30 8 O 1.73205 -2.77556e-16 0 0
M  V30 9 O 0 -0 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 7
M  V30 3 1 2 3
M  V30 4 1 2 6
M  V30 5 2 3 4
M  V30 6 1 3 5
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 END BOND
M  V30 END CTAB
M  END

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)

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)