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260389-82-0 | 3,4-Pyrrolidinediol, 1-(phenylmethyl)-
CAS No: 260389-82-0 Catalog No: AG002RG6 MDL No:MFCD06410834
Product Description
Catalog Number:
AG002RG6
Chemical Name:
3,4-Pyrrolidinediol, 1-(phenylmethyl)-
CAS Number:
260389-82-0
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD06410834
IUPAC Name:
(3S,4S)-1-benzylpyrrolidine-3,4-diol
InChI:
InChI=1S/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m0/s1
InChI Key:
QJRIUWQPJVPYSO-QWRGUYRKSA-N
SMILES:
OC1CN(CC1O)Cc1ccccc1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| (3S,4S)-1-Benzyl-pyrrolidine-3,4-diol. | Acta crystallographica. Section E, Structure reports online 20100401 |
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