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101385-90-4 | 3-Pyrrolidinol, 1-(phenylmethyl)-, (3S)-
CAS No: 101385-90-4 Catalog No: AG0004CN MDL No:MFCD00075485
Product Description
Catalog Number:
AG0004CN
Chemical Name:
3-Pyrrolidinol, 1-(phenylmethyl)-, (3S)-
CAS Number:
101385-90-4
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD00075485
IUPAC Name:
(3S)-1-benzylpyrrolidin-3-ol
InChI:
InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m0/s1
InChI Key:
YQMXOIAIYXXXEE-NSHDSACASA-N
SMILES:
O[C@H]1CCN(C1)Cc1ccccc1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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