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1260601-83-9 | 3-Pyrrolidinecarboxylic acid, 4-(4-Methylphenyl)-, (3R,4S)-
CAS No: 1260601-83-9 Catalog No: AG000QVL MDL No:
Product Description
Catalog Number:
AG000QVL
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(4-Methylphenyl)-, (3R,4S)-
CAS Number:
1260601-83-9
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
(3R,4S)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H15NO2/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11+/m1/s1
InChI Key:
HOMQPSPEVRFBRQ-MNOVXSKESA-N
SMILES:
OC(=O)[C@H]1CNC[C@@H]1c1ccc(cc1)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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