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1008112-09-1 | 3-Pyrrolidinol, 4-phenyl-, (3S,4R)-
CAS No: 1008112-09-1 Catalog No: AG0002XR MDL No:MFCD11109858
Product Description
Catalog Number:
AG0002XR
Chemical Name:
3-Pyrrolidinol, 4-phenyl-, (3S,4R)-
CAS Number:
1008112-09-1
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD11109858
IUPAC Name:
(3S,4R)-4-phenylpyrrolidin-3-ol;hydrochloride
InChI:
InChI=1S/C10H13NO.ClH/c12-10-7-11-6-9(10)8-4-2-1-3-5-8;/h1-5,9-12H,6-7H2;1H/t9-,10+;/m0./s1
InChI Key:
PXQNESYPIZUPHU-BAUSSPIASA-N
SMILES:
O[C@@H]1CNC[C@H]1c1ccccc1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
199.076g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.678g/mol
Monoisotopic Mass:
199.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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