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668-43-9 | 3-Nitro-4-hydroxy-6-methyl-2H-pyran-2-one
CAS No: 668-43-9 Catalog No: AG00FTI0 MDL No:
Product Description
Catalog Number:
AG00FTI0
Chemical Name:
3-Nitro-4-hydroxy-6-methyl-2H-pyran-2-one
CAS Number:
668-43-9
IUPAC Name:
4-hydroxy-6-methyl-3-nitropyran-2-one
InChI:
InChI=1S/C6H5NO5/c1-3-2-4(8)5(7(10)11)6(9)12-3/h2,8H,1H3
InChI Key:
LNAAVFQZQXHCEW-UHFFFAOYSA-N
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.108g/mol
Monoisotopic Mass:
171.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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