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Home > Pyridines > 192376-47-9
192376-47-9 | 1,2-Butanediol, 4-(3-pyridinyl)-, (2S)-
CAS No: 192376-47-9 Catalog No: AG002FWA MDL No:
Product Description
Catalog Number:
AG002FWA
Chemical Name:
1,2-Butanediol, 4-(3-pyridinyl)-, (2S)-
CAS Number:
192376-47-9
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
(2S)-4-pyridin-3-ylbutane-1,2-diol
InChI:
InChI=1S/C9H13NO2/c11-7-9(12)4-3-8-2-1-5-10-6-8/h1-2,5-6,9,11-12H,3-4,7H2/t9-/m0/s1
InChI Key:
YLYBMCORGKBUGR-VIFPVBQESA-N
SMILES:
OC[C@H](CCc1cccnc1)O
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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