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Home > Nitro Compounds > 88973-12-0
88973-12-0 | 4H-1-Benzopyran-4-one, 7-hydroxy-2,3-dimethyl-8-nitro-
CAS No: 88973-12-0 Catalog No: AG0045RT MDL No:
Product Description
Catalog Number:
AG0045RT
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-2,3-dimethyl-8-nitro-
CAS Number:
88973-12-0
Molecular Formula:
C11H9NO5
Molecular Weight:
235.1929
IUPAC Name:
7-hydroxy-2,3-dimethyl-8-nitrochromen-4-one
InChI:
InChI=1S/C11H9NO5/c1-5-6(2)17-11-7(10(5)14)3-4-8(13)9(11)12(15)16/h3-4,13H,1-2H3
InChI Key:
KRKSVXMDKWTURA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)ccc2c1oc(C)c(c2=O)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.195g/mol
Monoisotopic Mass:
235.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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