AG00ICN0

755025-16-2 | (S)-1-(2,4-Dimethoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid

AG00ICN0

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CAS Number	755025-16-2
Catalog Number	AG00ICN0(AGN-PC-0WCXC2)
Chemical Name	(S)-1-(2,4-Dimethoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid
IUPAC Name	(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
InChI	InChI=1S/C14H17NO5/c1-19-11-4-3-9(12(6-11)20-2)7-15-8-10(14(17)18)5-13(15)16/h3-4,6,10H,5,7-8H2,1-2H3,(H,17,18)/t10-/m0/s1
InChI Key	OZFGRQLUQFPWPR-JTQLQIEISA-N
MDL Number	MFCD28001381
Molecular Formula	C14H17NO5
Molecular Weight	279.2885
SMILES	O=C([C@@H](C1)CN(CC2=CC=C(OC)C=C2OC)C1=O)O
Synonyms	755025-16-2, (3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid, (S)-1-(2,4-dimethoxybenzyl)-5-oxopyrrolidine-3-carboxylic Acid, SCHEMBL14814213, OZFGRQLUQFPWPR-JTQLQIEISA-N, ZINC9246006, MFCD28001381, AKOS025289809, SB17792, AK171396, AS-52161, CS-0053285, KS-00000676, 1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid, (3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid, 1629681-80-6, 304858-45-5,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	279.111g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	279.292g/mol
Monoisotopic Mass	279.111g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	76.1A^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-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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