AG002UGH

276872-86-7 | 1-Pyrrolidinecarboxylic acid, 3-formyl-, phenylmethyl ester

AG002UGH

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CAS Number	276872-86-7
Catalog Number	AG002UGH(AGN-PC-0K6CBM)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-formyl-, phenylmethyl ester
IUPAC Name	benzyl 3-formylpyrrolidine-1-carboxylate
InChI	InChI=1S/C13H15NO3/c15-9-12-6-7-14(8-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2
InChI Key	GDPSCBPOCONUDM-UHFFFAOYSA-N
MDL Number	MFCD05861538
Molecular Formula	C13H15NO3
Molecular Weight	233.2631
SMILES	O=C(N1CC(C=O)CC1)OCC2=CC=CC=C2
Synonyms	Benzyl 3-formylpyrrolidine-1-carboxylate, 276872-86-7, 1-N-Cbz-3-formyl-pyrrolidine, 1-Cbz-3-pyrrolidinecarbaldehyde, 1-cbz-pyrrolidine-3-carboxaldehyde, 3-Formyl-pyrrolidine-1-carboxylic acid benzyl ester, 1-benzyloxycarbonylpyrrolidine-3-carboxaldehyde, 3-Formyl-pyrrolidine-1-carboxylicacidbenzylester, MFCD05861538, Benzyl 3-formyl-1-pyrrolidinecarboxylate, 1-Pyrrolidinecarboxylic acid, 3-formyl-, phenylmethyl ester, AK114758, Z-3-Formylpyrrolidine, AC1NENN2, n-cbz-3-formyl pyrrolidine, n-cbz-3-formyl-pyrrolidine, SCHEMBL103917, CTK7I0145, DTXSID50404973, GDPSCBPOCONUDM-UHFFFAOYSA-N, KS-00000KW4, RW1017, AKOS016010213, DS-3891, FCH2716546, MCULE-5966641405, QC-7316, RL02939, SC-48903, AB0036258, AX8037616, DB-031521, RT-006379, 4CH-001629, FT-0693086, ST24046101, Y3298, N-Benzyloxycarbonyl Pyrrolidine-3-carbaldehyde, 1-(Benzyloxycarbonyl)pyrrolidine-3-carbaldehyde, F33034, X-2208, 3-formyl-pyrrolidine-1-carboxylic acidbenzyl ester, 3-Formylpyrrolidine-1-carboxylic acid benzyl ester, J-512577, 1-Benzyloxycarbonylpyrrolidine-3-carboxaldehyde, 97%, (+/-)-N-(benzyloxycarbonyl)-3-pyrrolidinecarboxaldehyde, 3-Formyl-pyrrolidine-1-carboxylicacidbenzylester;benzyl 3-formylpyrrolidine-1-carboxylate, C13H15NO3, Benzyl3-formylpyrrolidine-1-carboxylate, CID4620242, (R)-BENZYL 3-FORMYLPYRROLIDINE-1-CARBOXYLATE, (S)-BENZYL 3-FORMYLPYRROLIDINE-1-CARBOXYLATE, A13285, 1212062-74-2, 1212307-91-9,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.105g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.267g/mol
Monoisotopic Mass	233.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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