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1289585-16-5 | 3-Pyrrolidinol, 1-[(2-methylphenyl)methyl]-, (3R)-
CAS No: 1289585-16-5 Catalog No: AG000YP8 MDL No:
Product Description
Catalog Number:
AG000YP8
Chemical Name:
3-Pyrrolidinol, 1-[(2-methylphenyl)methyl]-, (3R)-
CAS Number:
1289585-16-5
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-ol
InChI:
InChI=1S/C12H17NO/c1-10-4-2-3-5-11(10)8-13-7-6-12(14)9-13/h2-5,12,14H,6-9H2,1H3/t12-/m1/s1
InChI Key:
XCHKKIMRHNCWOK-GFCCVEGCSA-N
SMILES:
O[C@@H]1CCN(C1)Cc1ccccc1C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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