AG001046

132040-12-1 | 1H-Pyrrole-3-carboxylic acid, 4-phenyl-

AG001046

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CAS Number	132040-12-1
Catalog Number	AG001046(AGN-PC-0K6CAM)
Chemical Name	1H-Pyrrole-3-carboxylic acid, 4-phenyl-
IUPAC Name	4-phenyl-1H-pyrrole-3-carboxylic acid
InChI	InChI=1S/C11H9NO2/c13-11(14)10-7-12-6-9(10)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChI Key	IZAUZUSKFWENMY-UHFFFAOYSA-N
MDL Number	MFCD06411253
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
SMILES	O=C(C1=CNC=C1C2=CC=CC=C2)O
Synonyms	4-phenyl-1H-pyrrole-3-carboxylic Acid, 132040-12-1, 1H-Pyrrole-3-carboxylic acid, 4-phenyl-, AC1LU31X, AC1Q740N, SCHEMBL4533753, CTK4B7671, KS-00003TCE, DTXSID20364015, 4-phenylpyrrole-3-carboxylic acid, IZAUZUSKFWENMY-UHFFFAOYSA-N, KUC107414N, ZINC1442821, 5922AA, MFCD06411253, SBB053092, AKOS000365555, KSC-20-083, MCULE-2416667899, 4-phenyl-1H-pyrrol-3-ylcarboxylic acid, 4-phenyl-1-H-pyrrol-3-ylcarboxylic acid, AJ-26132, TS-02628, DB-062863, RT-009844, FT-0762487, EN300-40175, P33038, Z-5104, C11H9NO2, CID1519379, 4-PHENYL-1H-PYRROLE-3-CARBOXYLICACID,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	187.198g/mol
Monoisotopic Mass	187.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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