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113490-76-9 | L-Proline, 4-(phenylmethoxy)-, methyl ester, (4R)-
CAS No: 113490-76-9 Catalog No: AG0008QT MDL No:MFCD09878836
Product Description
Catalog Number:
AG0008QT
Chemical Name:
L-Proline, 4-(phenylmethoxy)-, methyl ester, (4R)-
CAS Number:
113490-76-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD09878836
IUPAC Name:
methyl (2S,4R)-4-phenylmethoxypyrrolidine-2-carboxylate
InChI:
InChI=1S/C13H17NO3/c1-16-13(15)12-7-11(8-14-12)17-9-10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3/t11-,12+/m1/s1
InChI Key:
GYBYGFMCYASWNS-NEPJUHHUSA-N
SMILES:
COC(=O)[C@H]1NC[C@@H](C1)OCc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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