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Home > Pyridines > 1231944-64-1
1231944-64-1 | 3-acetyl-4-hydroxy-5,6-dimethoxy-1,2-dihydropyridin-2-one
CAS No: 1231944-64-1 Catalog No: AG01DYJQ MDL No:MFCD24616361
Product Description
Catalog Number:
AG01DYJQ
Chemical Name:
3-acetyl-4-hydroxy-5,6-dimethoxy-1,2-dihydropyridin-2-one
CAS Number:
1231944-64-1
Molecular Formula:
C9H11NO5
Molecular Weight:
213.1873
MDL Number:
MFCD24616361
IUPAC Name:
3-acetyl-5,6-dimethoxy-1H-pyridine-2,4-dione
InChI:
InChI=1S/C9H11NO5/c1-4(11)5-6(12)7(14-2)9(15-3)10-8(5)13/h5H,1-3H3,(H,10,13)
InChI Key:
ZRLFVUIAGQOOAJ-UHFFFAOYSA-N
SMILES:
COc1c(OC)[nH]c(=O)c(c1O)C(=O)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.189g/mol
Monoisotopic Mass:
213.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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