AG0034VB

7126-57-0 | Ethyl 4-formyl-1h-pyrrole-2-carboxylate

AG0034VB

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CAS Number	7126-57-0
Catalog Number	AG0034VB(AGN-PC-0JOZAQ)
Chemical Name	Ethyl 4-formyl-1h-pyrrole-2-carboxylate
IUPAC Name	ethyl 4-formyl-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C8H9NO3/c1-2-12-8(11)7-3-6(5-10)4-9-7/h3-5,9H,2H2,1H3
InChI Key	WVSAWXIWWNJTAV-UHFFFAOYSA-N
MDL Number	MFCD04122505
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
NSC Number	272668
SMILES	CCOC(=O)c1cc(c[nH]1)C=O
Synonyms	ethyl 4-formyl-1H-pyrrole-2-carboxylate, 7126-57-0, Ethyl 4-formylpyrrole-2-carboxylate, 4-formyl-1H-pyrrole-2-carboxylic acid ethyl ester, MFCD04122505, 1H-Pyrrole-2-carboxylic acid, 4-formyl-, ethyl ester, Ethyl 4-Formylpyrrole-2-Carboxylate 97%, NSC272668, ACMC-20akyk, PubChem14845, AC1L84DC, SCHEMBL261645, CTK5D3791, DTXSID10313577, WVSAWXIWWNJTAV-UHFFFAOYSA-N, KS-000002FS, ZINC1561235, AKOS000320232, AB20782, LS40878, MCULE-3377432108, NSC-272668, RP23002, RTC-060181, TRA0057337, AJ-27047, AK-36183, AS-18519, CJ-05349, SC-35648, Ethyl 4-formylpyrrole-2-carboxylate, 97%, AB0000908, ethyl 4-methanoyl-1H-pyrrole-2-carboxylate, ST2406953, TC-060181, 4CH-001125, FT-0646502, W8028, 4-Formylpyrrole-2-carboxylic acid ethyl ester, S-1107, 126E570, A837138, I14-5112, J-521010, 1H-Pyrrole-2-carboxylicacid, 4-formyl-, ethyl ester, Z2219906653, C8H9NO3, CID321486, ACN-050686, ethyl4-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	H317
Packing Group
Precautionary statements	P261-P280g-P302+P352a-P321-P333+P313-P501a-P280
UN Code

Certificate of Analysis

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