AG00J2JG

67838-90-8 | 1-Methyl-1H-pyrrole-2-propanoic acid

AG00J2JG

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CAS Number	67838-90-8
Catalog Number	AG00J2JG(AGN-PC-0OGDKR)
Chemical Name	1-Methyl-1H-pyrrole-2-propanoic acid
IUPAC Name	3-(1-methylpyrrol-2-yl)propanoic acid
InChI	InChI=1S/C8H11NO2/c1-9-6-2-3-7(9)4-5-8(10)11/h2-3,6H,4-5H2,1H3,(H,10,11)
InChI Key	XSAZQIFVNCTKEU-UHFFFAOYSA-N
MDL Number	MFCD12964785
Molecular Formula	C8H11NO2
Molecular Weight	153.1784
SMILES	CN1C(=CC=C1)CCC(=O)O
Synonyms	3-(1-Methyl-1H-pyrrol-2-yl)propanoic acid, 67838-90-8, SCHEMBL7477617, MFCD12964785, ZINC20520753, AKOS015832908, AJ-77839, Y-7317, 3-(1-Methyl-1H-pyrrol-2-yl)propanoic acid, AldrichCPR, Z2418193710,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.079g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.181g/mol
Monoisotopic Mass	153.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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