AG00FE9E

74647-39-5 | 4-Phenylpyrimidine-2-carboxylic acid

AG00FE9E

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CAS Number	74647-39-5
Catalog Number	AG00FE9E(AGN-PC-0NJHUQ)
Chemical Name	4-Phenylpyrimidine-2-carboxylic acid
IUPAC Name	4-phenylpyrimidine-2-carboxylic acid
InChI	InChI=1S/C11H8N2O2/c14-11(15)10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChI Key	OKGSNIRNGQVKJO-UHFFFAOYSA-N
MDL Number	MFCD16988171
Molecular Formula	C11H8N2O2
Molecular Weight	200.1934
SMILES	O=C(C1=NC=CC(C2=CC=CC=C2)=N1)O
Synonyms	4-Phenylpyrimidine-2-carboxylic acid, 74647-39-5, AK113015, SCHEMBL1969097, DTXSID70503351, BCP08181, 4-Phenyl-2-pyrimidinecarboxylic acid, 6-phenylpyrimidine-2-carboxylic acid, MFCD16988171, ZINC75601468, AKOS016010029, DS-6074, OR52152, AJ-121723, AX8221195, 4CH-011105, ST24023643, 4-Phenylpyrimidine-2-carboxylicacid,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.059g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.197g/mol
Monoisotopic Mass	200.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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