AG0063II

68471-57-8 | 1H-Pyrrole-1-carboxylic acid, 2,3-dihydro-, phenylmethyl ester

AG0063II

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CAS Number	68471-57-8
Catalog Number	AG0063II(AGN-PC-0NFGH1)
Chemical Name	1H-Pyrrole-1-carboxylic acid, 2,3-dihydro-, phenylmethyl ester
IUPAC Name	benzyl 2,3-dihydropyrrole-1-carboxylate
InChI	InChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-4,6-8H,5,9-10H2
InChI Key	ZNLOEFQSAKKFGT-UHFFFAOYSA-N
MDL Number	MFCD20484343
Molecular Formula	C12H13NO2
Molecular Weight	203.2371
SMILES	O=C(N1CCC=C1)OCC2=CC=CC=C2
Synonyms	68471-57-8, Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate, Benzyl 2,3-dihydropyrrole-1-carboxylate, 1H-Pyrrole-1-carboxylic acid, 2,3-dihydro-, phenylmethyl ester, 2,3-Dihydro-pyrrole-1-carboxylic acid benzyl ester, Cbz Pyrroline, SCHEMBL2767868, N-Benzyloxycarbonyl-2-pyrroline, CTK1J2089, Benzyl 2-pyrroline-1-carboxylate, DTXSID50454271, ZNLOEFQSAKKFGT-UHFFFAOYSA-N, MFCD20484343, ZINC71773617, 1-Benzyloxycarbonyl-2,3-dihydropyrrole, N-Benzyloxycarbonyl-2,3-dihydropyrrole, SB13150, DA-04307, FT-0724912, N-Benzyloxycarbonyl-2,3-dihydropyrrole, 97%, (R)-1-[(SP)-2-[Di(2-furyl)phosphino]ferrocenylethylbis(2-methylphenyl)phosphine, CID11074472,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.095g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	203.241g/mol
Monoisotopic Mass	203.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2810

Certificate of Analysis

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