AG0032A1

498-21-5 | 2-Methylsuccinic acid

AG0032A1

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CAS Number	498-21-5
Catalog Number	AG0032A1(AGN-PC-004C59)
Chemical Name	2-Methylsuccinic acid
EC Number	207-857-1
IUPAC Name	2-methylbutanedioic acid
InChI	InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)
InChI Key	WXUAQHNMJWJLTG-UHFFFAOYSA-N
MDL Number	MFCD00002659
Molecular Formula	C5H8O4
Molecular Weight	132.1146
NSC Number	5276
SMILES	CC(C(=O)O)CC(=O)O
Synonyms	2-methylbutanedioic acid, methylsuccinic acid, methylsuccinic acid, (+-)-isomer, 2-Methylsuccinic acid, METHYLSUCCINIC ACID, 498-21-5, Pyrotartaric acid, Butanedioic acid, methyl-, 2-Methylbutanedioic acid, Methyl succinic acid, 1,2-Propanedicarboxylic acid, Succinic acid, methyl-, 2-methyl-butanedioic acid, Butanedioic acid, 2-methyl-, CCRIS 6068, Methylbutanedioic acid, NSC 5276, EINECS 207-857-1, WXUAQHNMJWJLTG-UHFFFAOYSA-N, methylsuccinate, MFCD00002659, 2-Methylbutanedioicacid, AK114636, 2-methylbutanedioate, MEZ, 2-Methylsuccinicacid, Pyrotartarate, Methylbutanedioate, 2-methyl-succinic acid, ACMC-209fnu, ACMC-209img, ACMC-1CTCE, Methylsuccinic acid, 99%, AC1L1V0E, KSC489O7L, SCHEMBL105210, AC1Q5V83, D,L-2-Methylsuccinic acid, 5, DTXSID9025663, Succinic acid, methyl- (8CI), BDBM85472, CHEBI:91315, CTK3I9775, KS-00000CZW, NSC5276, (S)-2-Hydroxy-2-methylsuccinate, NSC-5276, ACM498215, ANW-30848, FCH963777, LMFA01170119, SBB061436, STK301547, AKOS003790959, CS-W011097, EBD2211641, HY-W010381, LS-1301, MCULE-8116748590, RTR-017876, TRA0050252, AK306070, AN-45332, AN-50493, AS-17768, CC-30912, SC-51763, SY036933, AX8002838, DB-007698, ST2417113, TR-017876, 4CH-012941, FT-0602059, M0430, ST45061232, V1724, MFCD00002659 (97%), A815641, A827865, C-01388, S04-0142, InChI=1/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9, Methyl succinate, (S)-citramalate, 2-methylsuccinate, d-Methylsuccinic acid, (S)-Citramalic acid, (S)-2-methylsuccinic acid, (r)-2-methylsuccinic acid, UNII-H1547KG7UZ, (R)-(+)-Methylsuccinic acid, (S)-(-)-Methylsuccinic acid, C5H8O4, H1547KG7UZ, C5-H8-O4, CID10349, AR-1I6831, (S)-2-Hydroxy-2-methylsuccinic acid, (2E)-2-METHYLBUT-2-ENEDIOIC ACID, Methylsuccinic acid, 99% - 100G 100g, 2174-58-5, 3641-51-8, 6421-94-9,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.042g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	132.115g/mol
Monoisotopic Mass	132.042g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words	unknown

Certificate of Analysis

Lot Number