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Home > Nitro Compounds > 875655-42-8
875655-42-8 | 2H-Naphtho[1,2-b]pyran-2-one, 3-acetyl-8-nitro-
CAS No: 875655-42-8 Catalog No: AG004RL6 MDL No:
Product Description
Catalog Number:
AG004RL6
Chemical Name:
2H-Naphtho[1,2-b]pyran-2-one, 3-acetyl-8-nitro-
CAS Number:
875655-42-8
Molecular Formula:
C15H9NO5
Molecular Weight:
283.2357
IUPAC Name:
3-acetyl-8-nitrobenzo[h]chromen-2-one
InChI:
InChI=1S/C15H9NO5/c1-8(17)13-7-10-3-2-9-6-11(16(19)20)4-5-12(9)14(10)21-15(13)18/h2-7H,1H3
InChI Key:
QBPBZORLXJASHZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ccc1c2oc(=O)c(c1)C(=O)C
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.239g/mol
Monoisotopic Mass:
283.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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