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66080-45-3 | 4-Pyridinol,2-methoxy-(6CI,9CI)
CAS No: 66080-45-3 Catalog No: AG00FBYW MDL No:MFCD12546434
Product Description
Catalog Number:
AG00FBYW
Chemical Name:
4-Pyridinol,2-methoxy-(6CI,9CI)
CAS Number:
66080-45-3
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD12546434
IUPAC Name:
2-methoxy-1H-pyridin-4-one
InChI:
InChI=1S/C6H7NO2/c1-9-6-4-5(8)2-3-7-6/h2-4H,1H3,(H,7,8)
InChI Key:
LRNDOTVCAIEGPH-UHFFFAOYSA-N
SMILES:
COc1cc(O)ccn1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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