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147226-04-8 | 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(phenylmethyl) ester, (2R)-
CAS No: 147226-04-8 Catalog No: AG001EQA MDL No:MFCD09835491
Product Description
Catalog Number:
AG001EQA
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(phenylmethyl) ester, (2R)-
CAS Number:
147226-04-8
Molecular Formula:
C13H12NO5-
Molecular Weight:
262.2381
MDL Number:
MFCD09835491
IUPAC Name:
(2R)-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-/m1/s1
InChI Key:
RPLLCMZOIFOBIF-LLVKDONJSA-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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