AG00C8ZH

42105-98-6 | N-methylmalonamic acid

AG00C8ZH

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CAS Number	42105-98-6
Catalog Number	AG00C8ZH(AGN-PC-0WB3WQ)
Chemical Name	N-methylmalonamic acid
IUPAC Name	3-(methylamino)-3-oxopropanoic acid
InChI	InChI=1S/C4H7NO3/c1-5-3(6)2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
InChI Key	ANSCABGFLRQFHU-UHFFFAOYSA-N
MDL Number	MFCD06208488
Molecular Formula	C4H7NO3
Molecular Weight	117.1033
SMILES	O=C(O)CC(NC)=O
UNII	P1GQ250D2I
Synonyms	N-methylmalonamic acid, N-MMA, 3-(methylamino)-3-oxopropanoic acid, N-Methylmalonamic acid, 42105-98-6, UNII-P1GQ250D2I, 2-(methylcarbamoyl)acetic acid, Propanoic acid, 3-(methylamino)-3-oxo-, P1GQ250D2I, N-MMA, N-methyl malonamic acid, N-Methylmalonamidic acid, AC1L55WB, SCHEMBL2704898, CTK6I4299, DTXSID10194949, ANSCABGFLRQFHU-UHFFFAOYSA-N, ALBB-009534, ZINC5996102, 3048AE, BBL015724, MFCD06208488, STK501946, AKOS005172256, MCULE-3506871336, AJ-55401, AB0218582, TR-061218, BB 0259513, Y-2098, Z1718760706, C4H7NO3, CID170607, CS-O-06062,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	117.043g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	117.104g/mol
Monoisotopic Mass	117.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number