AG003S46

516-05-2 | 2-Methylmalonic acid

AG003S46

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CAS Number	516-05-2
Catalog Number	AG003S46(AGN-PC-0A7ROA)
Chemical Name	2-Methylmalonic acid
EC Number	208-219-5
IUPAC Name	2-methylpropanedioic acid
InChI	InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
InChI Key	ZIYVHBGGAOATLY-UHFFFAOYSA-N
MDL Number	MFCD00002656
Molecular Formula	C4H6O4
Molecular Weight	118.0880
NSC Number	25201
SMILES	CC(C(O)=O)C(O)=O
UNII	8LL8S712J7
Synonyms	Acid, Methylmalonic, Methylmalonic Acid, Methylmalonic acid, 2-Methylmalonic acid, 516-05-2, 2-Methylpropanedioic acid, methylmalonate, Isosuccinic acid, Propanedioic acid, methyl-, 1,1-Ethanedicarboxylic acid, Malonic acid, methyl-, methylpropanedioic acid, METHYL MALONIC ACID, UNII-8LL8S712J7, CHEBI:30860, EINECS 208-219-5, NSC 25201, 2-methyl-propanedioic acid, BRN 1756084, AI3-19472, ZIYVHBGGAOATLY-UHFFFAOYSA-N, 8LL8S712J7, Propanedioic acid, methyl- (9CI), methylpropanedioate, Methylmalonic acid, 96%, methylmalons, SMR000857347, Isosuccinate, methyl-Malonate, MethylmalonicAcid, 2-Methylmalonate, methyl-Malonic acid, methyl-Propanedioate, MFCD00002656, 2-methyl-malonic acid, alpha-methylmalonic acid, ACMC-209kuv, methyl-Propanedioic acid, 1,1-Ethanedicarboxylate, AC1Q5RNP, Methylmalonic acid, 99%, bmse000398, AC1L19CG, WLN: QV1VO1, SCHEMBL27766, 4-02-00-01932 (Beilstein Handbook Reference), MLS001335865, MLS001335866, GTPL9633, CHEMBL1232416, CTK1G9635, DTXSID00199549, HMS2230A22, ZINC901289, BCP22931, KS-00000CI8, NSC25201, ANW-31301, BBL027393, BDBM50038341, LMFA01170118, NSC-25201, STL373471, AKOS009157181, AN-5001, DB04183, LS41650, MCULE-7232226851, TRA0069742, NCGC00247049-01, AJ-24348, AK-82572, LS-88826, SC-16059, SY006109, AB0011957, HY-103395, TR-032107, B7725, CS-0027817, FT-0655314, M0568, ST24040904, MFCD00002656 (96%), C02170, 21531-EP2289876A1, 21531-EP2298768A1, 21531-EP2314295A1, 516M052, 166A2535-D607-4D47-956D-8FC6A1EA3B08, InChI=1/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8, Methylmalonic acid solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material, Acid, Methylmalonic, 2-Methylpropanedioicacid, C4H6O4, CID487, C4-H6-O4, AR-1J6698, Methylmalonic acid, 96% - 100G 100g, M-3548, D008764, MMA, 52735-88-3, DXX,

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.027g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	118.088g/mol
Monoisotopic Mass	118.027g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number