AG008QXH

73476-30-9 | 1,5-Dimethyl-1H-pyrrole-2-carboxylic acid

AG008QXH

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CAS Number	73476-30-9
Catalog Number	AG008QXH(AGN-PC-0LWTUG)
Chemical Name	1,5-Dimethyl-1H-pyrrole-2-carboxylic acid
IUPAC Name	1,5-dimethylpyrrole-2-carboxylic acid
InChI	InChI=1S/C7H9NO2/c1-5-3-4-6(7(9)10)8(5)2/h3-4H,1-2H3,(H,9,10)
InChI Key	NDJXNNQYGYBVNQ-UHFFFAOYSA-N
MDL Number	MFCD01859979
Molecular Formula	C7H9NO2
Molecular Weight	139.1519
SMILES	O=C(C1=CC=C(C)N1C)O
Synonyms	1,5-dimethyl-1H-pyrrole-2-carboxylic acid, 73476-30-9, 1,5-dimethylpyrrole-2-carboxylic Acid, AC1OFMJF, AC1Q3Y0H, SCHEMBL1663159, CTK2H9137, DTXSID00427950, ZINC4219179, MFCD01859979, AKOS000119292, MCULE-9663070303, AJ-49117, BS-13198, 1H-Pyrrole-2-carboxylicacid, 1,5-dimethyl-, EN300-23527, W-8737, 1,5-Dimethyl-1H-pyrrole-2-carboxylic acid, AldrichCPR, Z166605426, CID7131914,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.063g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	139.154g/mol
Monoisotopic Mass	139.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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