AG005HGE

77498-98-7 | 2-Phenyl-1H-imidazole-4-carboxylic acid

AG005HGE

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CAS Number	77498-98-7
Catalog Number	AG005HGE(AGN-PC-0OI0HI)
Chemical Name	2-Phenyl-1H-imidazole-4-carboxylic acid
EC Number	278-701-8
IUPAC Name	2-phenyl-1H-imidazole-5-carboxylic acid
InChI	InChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChI Key	XCAXKZJNJCKTQH-UHFFFAOYSA-N
MDL Number	MFCD04974056
Molecular Formula	C10H8N2O2
Molecular Weight	188.1827
SMILES	OC(=O)C1=CNC(=N1)C1=CC=CC=C1
UNII	HGH57KDY8T
Synonyms	2-Phenyl-1H-imidazole-4-carboxylic acid, 77498-98-7, 2-phenyl-1H-imidazole-5-carboxylic acid, 1H-Imidazole-5-carboxylic acid, 2-phenyl-, CHEMBL1232889, 1H-Imidazole-4-carboxylic acid, 2-phenyl-, UNII-HGH57KDY8T, HGH57KDY8T, 2-phenylimidazole-4-carboxylic acid, G14, 2-phenyl-3H-imidazole-4-carboxylic Acid, AC1MC8EL, SCHEMBL1080850, CTK2I0991, CTK4I4538, XCAXKZJNJCKTQH-UHFFFAOYSA-N, HMS3604D08, ZINC164985, ALBB-012261, CS-D0591, ANW-57703, BDBM50329857, CP-011, STK897779, AKOS005173647, AKOS007930827, CCG-256344, DB07803, MCULE-4786808772, NE61009, NCGC00339780-01, AJ-16334, SC-37973, 1H-Imidazole-5-carboxylicacid, 2-phenyl-, TC-146448, TX-016511, 4CH-018604, BB 0262249, FT-0750548, EN300-81411, 70P740, L-1582, Y-2089, AB01332345-02, 2-Phenyl-1H-imidazole-4-carboxylic?acid?hydrate?, I04-4317, Z1270403503, D0XF6C, EINECS 278-701-8, C10-H8-N2-O2, CID2738139, 2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID HYDRATE, 41270-74-0,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.059g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	188.186g/mol
Monoisotopic Mass	188.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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