AG002FF8

19167-98-7 | 1H-Pyrrole-1-acetic acid

AG002FF8

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CAS Number	19167-98-7
Catalog Number	AG002FF8(AGN-PC-0JOGGB)
Chemical Name	1H-Pyrrole-1-acetic acid
IUPAC Name	2-pyrrol-1-ylacetic acid
InChI	InChI=1S/C6H7NO2/c8-6(9)5-7-3-1-2-4-7/h1-4H,5H2,(H,8,9)
InChI Key	CHRZYRWWZQCZBV-UHFFFAOYSA-N
MDL Number	MFCD00955795
Molecular Formula	C6H7NO2
Molecular Weight	125.1253
NSC Number	50134
SMILES	O=C(O)CN1C=CC=C1
Synonyms	19167-98-7, 1H-pyrrol-1-ylacetic acid, 1h-pyrrole-1-acetic acid, 2-(1H-pyrrol-1-yl)acetic acid, 2-pyrrol-1-ylacetic acid, Pyrrol-1-yl-acetic acid, 1H-Pyrrole-1-aceticacid, 2-(1-pyrrolyl)acetic acid, N-azolylacetic acid, NSC50134, 2-pyrrolylacetic acid, Pyrrole-1-acetic acid, Pyrrol-1-ylacetic acid, (1-Pyrryl)acetic Acid, (1-pyrryl) acetic acid, AC1Q5WLK, AC1L68ME, AC1Q75UK, 2-pyrrol-1-ylethanoic acid, SCHEMBL463115, CTK0I0915, DTXSID50287288, CHRZYRWWZQCZBV-UHFFFAOYSA-N, ZINC332065, ALBB-012480, BBL007942, MFCD00955795, NSC-50134, SBB085592, STK891526, AKOS000137530, MCULE-2328864169, 1H-Pyrrol-1-ylacetic acid, AldrichCPR, AJ-19518, DA-08744, AB0134978, AB1008826, FT-0646978, EN300-59195, K-5704, A815805, I04-3419, F2147-0624, Z1171978853, null, AR-1C3891, CID242027, 2198-92-7,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	125.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	125.127g/mol
Monoisotopic Mass	125.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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