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130930-25-5 | 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(phenylmethyl) ester, (2R,4R)-
CAS No: 130930-25-5 Catalog No: AG000V43 MDL No:MFCD00238423
Product Description
Catalog Number:
AG000V43
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(phenylmethyl) ester, (2R,4R)-
CAS Number:
130930-25-5
Molecular Formula:
C13H14NO5-
Molecular Weight:
264.2540
MDL Number:
MFCD00238423
IUPAC Name:
(2R,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H15NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)/t10-,11-/m1/s1
InChI Key:
WWVCWLBEARZMAH-GHMZBOCLSA-N
SMILES:
O[C@@H]1C[C@@H](N(C1)C(=O)OCc1ccccc1)C(=O)[O-]
EC Number:
236-831-2
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
265.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.265g/mol
Monoisotopic Mass:
265.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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