AG00CKNH

36131-43-8 | Ethyl 3-formyl-1H-pyrrole-2-carboxylate

AG00CKNH

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CAS Number	36131-43-8
Catalog Number	AG00CKNH(AGN-PC-0NJGEN)
Chemical Name	Ethyl 3-formyl-1H-pyrrole-2-carboxylate
IUPAC Name	ethyl 3-formyl-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C8H9NO3/c1-2-12-8(11)7-6(5-10)3-4-9-7/h3-5,9H,2H2,1H3
InChI Key	DHBCCUBZOOUZAX-UHFFFAOYSA-N
MDL Number	MFCD09864361
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	CCOC(=O)C1=C(C=O)C=CN1
Synonyms	Ethyl 3-formyl-1H-pyrrole-2-carboxylate, 36131-43-8, 3-Formyl-1H-pyrrole-2-carboxylic acid ethyl ester, AK110693, SCHEMBL10810993, DTXSID30503019, KS-00000QN9, Ethyl 3-Formylpyrrole-2-carboxylate, 4554AB, MFCD13178593, ZINC39248707, AKOS016008923, DS-2746, AJ-99369, CJ-19877, AX8238619, ST2412974, 4CH-012072, FT-0696389, 3-formyl-pyrrole-2-carboxylic acid ethyl ester, C8H9NO3, Ethyl3-formyl-1H-pyrrole-2-carboxylate,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	59.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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