AG003U2Y

31462-59-6 | Pyrimidine-4-carboxylic acid

AG003U2Y

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CAS Number	31462-59-6
Catalog Number	AG003U2Y(AGN-PC-0JPQS7)
Chemical Name	Pyrimidine-4-carboxylic acid
EC Number	250-641-7
IUPAC Name	pyrimidine-4-carboxylic acid
InChI	InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-3-7-4/h1-3H,(H,8,9)
InChI Key	YPOXGDJGKBXRFP-UHFFFAOYSA-N
MDL Number	MFCD00129737
Molecular Formula	C5H4N2O2
Molecular Weight	124.0975
SMILES	C1=CN=CN=C1C(=O)O
Synonyms	pyrimidine-4-carboxylic acid, 4-pyrimidinecarboxylic acid, 31462-59-6, MFCD00129737, EINECS 250-641-7, PubChem5297, ACMC-1CPDB, AC1Q1IAG, 4-pyrimidine-carboxylicacid, 4-CARBOXY PYRIMIDINE, pyrimidine 4-carboxylic acid, SCHEMBL37469, AE-641/00364016, KSC223E8F, Pyrimidine-4- carboxylic acid, AC1L53I6, Jsp005869, DTXSID6067624, CTK1C3282, ZINC81626, YPOXGDJGKBXRFP-UHFFFAOYSA-N, ACN-S004169, ACT05559, BCP26720, ANW-27121, CP-355, SBB018520, STK661673, AKOS002347146, AC-1223, CM10263, CS-W002404, HP21011, LS20389, MCULE-5378963231, PB29023, QC-3583, RP00724, RTR-013379, SB10116, TRA0055130, AJ-10563, AK-23926, AN-15115, BC201449, BR-23926, EN001967, HC210008, SC-03365, SY005548, AB1011538, DB-006901, ST1141094, ST4143572, TL8002410, TR-013379, 4CH-009847, AM20090449, FT-0602225, M6300, P1993, V0611, 9N-013, C-1145, P67154, MFCD00129737 (97+%), 462P596, A820865, I03-0284, W-106899, Z57064900, F3096-1882, InChI=1/C5H4N2O2/c8-5(9)4-1-2-6-3-7-4/h1-3H,(H,8,9, null, 4-Pyrimidinecarboxylicacid, C5H4N2O2, Pyrimidine-2-carboxylic acid, 3-Pyrrolidine carboxylic acid, C5-H4-N2-O2, AR-1G4548, CID169306, ACN-025492, 4-Pyrimidinecarboxylic acid (6CI,8CI,9CI), C2484, Pyrimidine-4-carboxylic acid, 98% - 1G 1g, 31519-62-7, 36314-97-3, 65-86-1,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.027g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	124.099g/mol
Monoisotopic Mass	124.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number