AG003A7V

6636-06-2 | 5-Phenyl-1H-pyrrole-2-carboxylic acid

AG003A7V

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CAS Number	6636-06-2
Catalog Number	AG003A7V(AGN-PC-0JO5ZD)
Chemical Name	5-Phenyl-1H-pyrrole-2-carboxylic acid
IUPAC Name	5-phenyl-1H-pyrrole-2-carboxylic acid
InChI	InChI=1S/C11H9NO2/c13-11(14)10-7-6-9(12-10)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChI Key	YEQVNAGNEONSTR-UHFFFAOYSA-N
MDL Number	MFCD02575359
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
NSC Number	16407
SMILES	C1(=CC=CC=C1)C1=CC=C(N1)C(=O)O
Synonyms	5-Phenyl-1H-pyrrole-2-carboxylic acid, 6636-06-2, BAS 01184238, MLS-0013550.0001, NSC16407, AC1Q5URB, AC1L5EL9, TimTec1_002169, Oprea1_535171, Oprea1_748344, MLS000070648, SCHEMBL308253, 4,5-dichloro-4-methylaniline, cid_226199, CHEMBL1526424, BDBM45781, 5-phenylpyrrole-2-carboxylic acid, YEQVNAGNEONSTR-UHFFFAOYSA-N, HMS1540C13, HMS2412G11, ZINC135489, KS-00000IV4, 0189AC, MFCD02575359, NSC-16407, AKOS000600202, DS-6094, MCULE-5046738894, AJ-12271, AK113109, SC-69545, SMR000010157, ST028658, TR-037433, BB 0251847, FT-0676642, EN300-57076, Z-2204, 5-Phenyl-1H-pyrrole-2-carboxylic acid, AldrichCPR, I04-4309, Z1259041018, C11H9NO2, AR-1G9396, CID226199, 10553-42-1,

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	2.2

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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