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70158-18-8 | 6-Hydroxy-5-methoxy-1-methyl-2,3,4(1H)-pyridinetrione
CAS No: 70158-18-8 Catalog No: AG00FSNY MDL No:
Product Description
Catalog Number:
AG00FSNY
Chemical Name:
6-Hydroxy-5-methoxy-1-methyl-2,3,4(1H)-pyridinetrione
CAS Number:
70158-18-8
IUPAC Name:
4-hydroxy-5-methoxy-1-methylpyridine-2,3,6-trione
InChI:
InChI=1S/C7H7NO5/c1-8-6(11)4(10)3(9)5(13-2)7(8)12/h9H,1-2H3
InChI Key:
XCRZCFHUMHUPAI-UHFFFAOYSA-N
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.135g/mol
Monoisotopic Mass:
185.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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