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124391-76-0 | 1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester, (3S)-
CAS No: 124391-76-0 Catalog No: AG000LXQ MDL No:MFCD06858680
Product Description
Catalog Number:
AG000LXQ
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester, (3S)-
CAS Number:
124391-76-0
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD06858680
IUPAC Name:
benzyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H17NO3/c15-9-12-6-7-14(8-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2/t12-/m0/s1
InChI Key:
ZRMWRJLLAVAFQP-LBPRGKRZSA-N
SMILES:
OC[C@H]1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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