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Home > Nitro Compounds > 115782-42-8
115782-42-8 | 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-nitrophenyl)-
CAS No: 115782-42-8 Catalog No: AG000GUI MDL No:
Product Description
Catalog Number:
AG000GUI
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-nitrophenyl)-
CAS Number:
115782-42-8
Molecular Formula:
C15H11NO6
Molecular Weight:
301.2509
IUPAC Name:
5,7-dihydroxy-2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C15H11NO6/c17-10-5-11(18)15-12(19)7-13(22-14(15)6-10)8-2-1-3-9(4-8)16(20)21/h1-6,13,17-18H,7H2
InChI Key:
SOHGUIJBZYXTPM-UHFFFAOYSA-N
SMILES:
Oc1cc2OC(CC(=O)c2c(c1)O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.254g/mol
Monoisotopic Mass:
301.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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