AG003S2I

4277-63-8 | Methyl 1H-pyrrole-1-carboxylate

AG003S2I

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CAS Number	4277-63-8
Catalog Number	AG003S2I(AGN-PC-0WCB12)
Chemical Name	Methyl 1H-pyrrole-1-carboxylate
EC Number	224-281-6
IUPAC Name	methyl pyrrole-1-carboxylate
InChI	InChI=1S/C6H7NO2/c1-9-6(8)7-4-2-3-5-7/h2-5H,1H3
InChI Key	MORALDOSFHZOQS-UHFFFAOYSA-N
MDL Number	MFCD00126403
Molecular Formula	C6H7NO2
Molecular Weight	125.1253
SMILES	N1(C=CC=C1)C(OC)=O
Synonyms	Methyl 1H-pyrrole-1-carboxylate, 4277-63-8, methyl pyrrole-1-carboxylate, Methyl 1-pyrrolecarboxylate, EINECS 224-281-6, N-carbomethoxy pyrrole, N-methoxycarbonylpyrrole, methyl pyrrolecarboxylate, ACMC-1AIEK, SCHEMBL568621, AC1L2U72, CTK4E3107, DTXSID20195422, MORALDOSFHZOQS-UHFFFAOYSA-N, Methyl 1-pyrrolecarboxylate, 98%, ZINC396077, KS-00003SS8, ZX-AT008422, 3202AE, MFCD00126403, OR6273, SBB053089, AKOS024015168, ACM4277638, FCH1118598, TS-01638, ZB012605, 1H-pyrrole-1-carboxylic acid, methyl ester, TC-166130, FT-0693507, B-3212, 277M638, I14-55992, InChI=1/C6H7NO2/c1-9-6(8)7-4-2-3-5-7/h2-5H,1H, 20036-22-0, C6H7NO2, C6-H7-N-O2, CID77962, ZINC00396077,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	125.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	125.127g/mol
Monoisotopic Mass	125.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	31.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3272

Certificate of Analysis

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