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1242166-68-2 | 3-Pyrrolidinol, 4-phenyl-, (3R,4S)-rel-
CAS No: 1242166-68-2 Catalog No: AG000LOR MDL No:MFCD28023823
Product Description
Catalog Number:
AG000LOR
Chemical Name:
3-Pyrrolidinol, 4-phenyl-, (3R,4S)-rel-
CAS Number:
1242166-68-2
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD28023823
IUPAC Name:
(3R,4S)-4-phenylpyrrolidin-3-ol
InChI:
InChI=1S/C10H13NO/c12-10-7-11-6-9(10)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10+/m1/s1
InChI Key:
LKWOEDBCCDPEQB-ZJUUUORDSA-N
SMILES:
O[C@H]1CNC[C@@H]1c1ccccc1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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