AG0076GO

40611-79-8 | Methyl 4-formyl-1H-pyrrole-2-carboxylate

AG0076GO

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CAS Number	40611-79-8
Catalog Number	AG0076GO(AGN-PC-0JU77A)
Chemical Name	Methyl 4-formyl-1H-pyrrole-2-carboxylate
IUPAC Name	methyl 4-formyl-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C7H7NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h2-4,8H,1H3
InChI Key	MIBDQVZPRVDXQP-UHFFFAOYSA-N
MDL Number	MFCD02179575
Molecular Formula	C7H7NO3
Molecular Weight	153.1354
SMILES	C(=O)C=1C=C(NC1)C(=O)OC
Synonyms	methyl 4-formyl-1H-pyrrole-2-carboxylate, 40611-79-8, methyl 4-formylpyrrole-2-carboxylate, 4-formyl-1H-pyrrole-2-carboxylic acid methyl ester, 1H-pyrrole-2-carboxylic acid, 4-formyl-, methyl ester, PubChem9148, ACMC-209jfh, AC1LD0E5, methylformylpyrrolecarboxylate, SCHEMBL1003723, CTK4I3427, DTXSID60348718, MIBDQVZPRVDXQP-UHFFFAOYSA-N, KS-000022UP, ZINC2577863, ANW-29451, MFCD02179575, AKOS005071900, AN-8890, BC-0808, MCULE-7406986901, RP10062, AJ-42689, EN000500, DB-070058, ST2419585, TR-016212, A9076, FT-0680856, methyl 4-methanoyl-1H-pyrrole-2-carboxylate, W6114, 4-Formylpyrrole-2-carboxylic acid methyl ester, B-2459, M80036, A825194, I11-678, J-522349, 1H-Pyrrole-2-carboxylicacid, 4-formyl-, methyl ester, 1H-Pyrrole-2-carboxylicacid,4-formyl-,methylester(9CI), Z2219902700, InChI=1/C7H7NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h2-4,8H,1H, C7H7NO3, CID640310, 4-formyl-2-methoxycarbonyl-N-methylpyrrole, Methyl 4-formyl-1-methyl-1H-pyrrole-2-carboxylate, 67858-47-3,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.043g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.137g/mol
Monoisotopic Mass	153.043g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

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