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62838-65-7 | 2(1H)-Pyridinone, 3-acetyl- (9CI)
CAS No: 62838-65-7 Catalog No: AG00EFL1 MDL No:MFCD11977425
Product Description
Catalog Number:
AG00EFL1
Chemical Name:
2(1H)-Pyridinone, 3-acetyl- (9CI)
CAS Number:
62838-65-7
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD11977425
IUPAC Name:
3-acetyl-1H-pyridin-2-one
InChI:
InChI=1S/C7H7NO2/c1-5(9)6-3-2-4-8-7(6)10/h2-4H,1H3,(H,8,10)
InChI Key:
PYKHYSXTVOVOHV-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc[nH]c1=O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Application of spectroscopic methods for structural analysis of chitin and chitosan. | Marine drugs 20100101 |
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