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1217736-39-4 | 3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)-, (3R)-
CAS No: 1217736-39-4 Catalog No: AG0015XN MDL No:MFCD09749831
Product Description
Catalog Number:
AG0015XN
Chemical Name:
3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)-, (3R)-
CAS Number:
1217736-39-4
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD09749831
IUPAC Name:
(3R)-1-benzyl-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H13NO3/c14-11-6-10(12(15)16)8-13(11)7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m1/s1
InChI Key:
VYKQDWPBYULGPF-SNVBAGLBSA-N
SMILES:
OC(=O)[C@H]1CN(C(=O)C1)Cc1ccccc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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