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Home > Nitro Compounds > 182954-16-1
182954-16-1 | 2H-1-Benzopyran-2-one, 6-hydroxy-4-methyl-5,7-dinitroso-
CAS No: 182954-16-1 Catalog No: AG0024AR MDL No:
Product Description
Catalog Number:
AG0024AR
Chemical Name:
2H-1-Benzopyran-2-one, 6-hydroxy-4-methyl-5,7-dinitroso-
CAS Number:
182954-16-1
Molecular Formula:
C10H6N2O5
Molecular Weight:
234.1650
IUPAC Name:
6-hydroxy-4-methyl-5,7-dinitrosochromen-2-one
InChI:
InChI=1S/C10H6N2O5/c1-4-2-7(13)17-6-3-5(11-15)10(14)9(12-16)8(4)6/h2-3,14H,1H3
InChI Key:
AAWBWKPUUGIZLD-UHFFFAOYSA-N
SMILES:
O=Nc1cc2oc(=O)cc(c2c(c1O)N=O)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.167g/mol
Monoisotopic Mass:
234.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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