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81998-04-1 | 4-HydroxyMethyl-4'-Methyl-2,2'-bipyridyl
CAS No: 81998-04-1 Catalog No: AG00G52V MDL No:MFCD02916382
Product Description
Catalog Number:
AG00G52V
Chemical Name:
4-HydroxyMethyl-4'-Methyl-2,2'-bipyridyl
CAS Number:
81998-04-1
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD02916382
IUPAC Name:
[2-(4-methylpyridin-2-yl)pyridin-4-yl]methanol
InChI:
InChI=1S/C12H12N2O/c1-9-2-4-13-11(6-9)12-7-10(8-15)3-5-14-12/h2-7,15H,8H2,1H3
InChI Key:
GJCOKGHYIMLMPB-UHFFFAOYSA-N
SMILES:
OCc1ccnc(c1)c1nccc(c1)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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