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63688-36-8 | 3-Pyridinol, 2-(3,4-dimethoxyphenyl)-
CAS No: 63688-36-8 Catalog No: AG00IB9B MDL No:MFCD00445617
Product Description
Catalog Number:
AG00IB9B
Chemical Name:
3-Pyridinol, 2-(3,4-dimethoxyphenyl)-
CAS Number:
63688-36-8
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD00445617
IUPAC Name:
2-(3,4-dimethoxyphenyl)pyridin-3-ol
InChI:
InChI=1S/C13H13NO3/c1-16-11-6-5-9(8-12(11)17-2)13-10(15)4-3-7-14-13/h3-8,15H,1-2H3
InChI Key:
JFDJCKRMLIGDHB-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1ncccc1O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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