AG00BXQM

37964-17-3 | 1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER

AG00BXQM

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CAS Number	37964-17-3
Catalog Number	AG00BXQM(AGN-PC-00KQTS)
Chemical Name	1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
IUPAC Name	ethyl 1H-pyrrole-3-carboxylate
InChI	InChI=1S/C7H9NO2/c1-2-10-7(9)6-3-4-8-5-6/h3-5,8H,2H2,1H3
InChI Key	ICJYWDHNTMJKFP-UHFFFAOYSA-N
MDL Number	MFCD10000696
Molecular Formula	C7H9NO2
Molecular Weight	139.1519
SMILES	CCOC(=O)C1=CNC=C1
Synonyms	ETHYL 1H-PYRROLE-3-CARBOXYLATE, 37964-17-3, 1H-pyrrole-3-carboxylic acid ethyl ester, ethyl pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, ethyl ester, AK-41135, 3-carbethoxypyrrole, ethylpyrrole-3-carboxylate, ethyl1H-pyrrole-3-carboxylate, SCHEMBL671053, CTK8C4573, KS-00000IJI, DTXSID30517297, ICJYWDHNTMJKFP-UHFFFAOYSA-N, ANW-72378, MFCD10000696, ZINC39386630, AKOS006305690, FCH2143974, MP-1501, ACM37964173, AM803817, DS-13803, SC-92970, AJ-100128, AX8170925, DB-016148, TC-161123, 4CH-009355, CS-0037715, FT-0720831, ST24030431, Z4680, I11-0419, C7H9NO2,

Complexity	125
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	3
Topological Polar Surface Area	42.1A^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-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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