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64187-47-9 | (S);-1-((Benzyloxy);carbonyl);-4-oxopyrrolidine-2-carboxylic acid
CAS No: 64187-47-9 Catalog No: AG003CIL MDL No:MFCD07367987
Product Description
Catalog Number:
AG003CIL
Chemical Name:
(S);-1-((Benzyloxy);carbonyl);-4-oxopyrrolidine-2-carboxylic acid
CAS Number:
64187-47-9
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
MDL Number:
MFCD07367987
IUPAC Name:
(2S)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H13NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,16,17)/t11-/m0/s1
InChI Key:
RPLLCMZOIFOBIF-NSHDSACASA-N
SMILES:
O=C1CN([C@@H](C1)C(=O)O)C(=O)OCc1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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