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1241684-17-2 | 3-Pyrrolidinecarboxylic acid, 2-phenyl-, (2S,3R)-
CAS No: 1241684-17-2 Catalog No: AG000LM0 MDL No:MFCD06738981
Product Description
Catalog Number:
AG000LM0
Chemical Name:
3-Pyrrolidinecarboxylic acid, 2-phenyl-, (2S,3R)-
CAS Number:
1241684-17-2
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD06738981
IUPAC Name:
(2R,3S)-2-phenylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H13NO2/c13-11(14)9-6-7-12-10(9)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10-/m0/s1
InChI Key:
DQOBFNNHIKEOLB-UWVGGRQHSA-N
SMILES:
OC(=O)[C@@H]1CCN[C@@H]1c1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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