AG009B95

1212307-91-9 | (S)-1-N-CBZ-3-FORMYL-PYRROLIDINE

AG009B95

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CAS Number	1212307-91-9
Catalog Number	AG009B95(AGN-PC-0WCXXZ)
Chemical Name	(S)-1-N-CBZ-3-FORMYL-PYRROLIDINE
IUPAC Name	benzyl (3S)-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/t12-/m0/s1
InChI Key	GDPSCBPOCONUDM-LBPRGKRZSA-N
MDL Number	MFCD06796594
Molecular Formula	C13H15NO3
Molecular Weight	233.2631
SMILES	O=C(N1C[C@@H](C=O)CC1)OCC2=CC=CC=C2
Synonyms	(S)-1-N-Cbz-3-formyl-pyrrolidine, 1212307-91-9, (S)-BENZYL 3-FORMYLPYRROLIDINE-1-CARBOXYLATE, (S)-3-Formyl-pyrrolidine-1-carboxylic acid benzyl ester, AC1LU367, SCHEMBL12289796, CTK7G9834, DTXSID70364045, ZINC1443040, MFCD06796594, AB29464, FCH3616461, AJ-26157, AS-37483, AB0075881, AX8266788, DB-016788, FT-0773268, benzyl (3S)-3-formylpyrrolidine-1-carboxylate, F40011, X-2033, (s)-3-formylpyrrolidine-1-carboxylic acid benzyl ester, CID1519463, Benzyl 3-formylpyrrolidine-1-carboxylate,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

Lot Number