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61941-79-5 | 2(1H)-Pyridinone,5-methoxy-(9CI)
CAS No: 61941-79-5 Catalog No: AG00EEPZ MDL No:MFCD18384907
Product Description
Catalog Number:
AG00EEPZ
Chemical Name:
2(1H)-Pyridinone,5-methoxy-(9CI)
CAS Number:
61941-79-5
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD18384907
IUPAC Name:
5-methoxy-1H-pyridin-2-one
InChI:
InChI=1S/C6H7NO2/c1-9-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)
InChI Key:
OLQMORKJFAJCAT-UHFFFAOYSA-N
SMILES:
COc1ccc(=O)[nH]c1
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:
2
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:
-0.1
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