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127676-17-9 | 2-(3-methylpyridin-2-yl)propane-1,3-diol
CAS No: 127676-17-9 Catalog No: AG00P6OT MDL No:MFCD06637399
Product Description
Catalog Number:
AG00P6OT
Chemical Name:
2-(3-methylpyridin-2-yl)propane-1,3-diol
CAS Number:
127676-17-9
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD06637399
IUPAC Name:
2-(3-methylpyridin-2-yl)propane-1,3-diol
InChI:
InChI=1S/C9H13NO2/c1-7-3-2-4-10-9(7)8(5-11)6-12/h2-4,8,11-12H,5-6H2,1H3
InChI Key:
XWYJAHNNRKKYMT-UHFFFAOYSA-N
SMILES:
OCC(c1ncccc1C)CO
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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