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100858-32-0 | 1-Pyrrolidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester, (3S)-
CAS No: 100858-32-0 Catalog No: AG00031B MDL No:MFCD07784363
Product Description
Catalog Number:
AG00031B
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester, (3S)-
CAS Number:
100858-32-0
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD07784363
IUPAC Name:
benzyl (3S)-3-hydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m0/s1
InChI Key:
MBLJFGOKYTZKMH-NSHDSACASA-N
SMILES:
O[C@H]1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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