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Home > Nitro Compounds > 2725-81-7
2725-81-7 | 6-Nitro-2H-chromen-2-one
CAS No: 2725-81-7 Catalog No: AG003NB8 MDL No:MFCD00016973
Product Description
Catalog Number:
AG003NB8
Chemical Name:
6-Nitro-2H-chromen-2-one
CAS Number:
2725-81-7
Molecular Formula:
C9H5NO4
Molecular Weight:
191.1403
MDL Number:
MFCD00016973
IUPAC Name:
6-nitrochromen-2-one
InChI:
InChI=1S/C9H5NO4/c11-9-4-1-6-5-7(10(12)13)2-3-8(6)14-9/h1-5H
InChI Key:
RMERXEXZXIVNBF-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)ccc(c2)[N+](=O)[O-]
EC Number:
220-341-0
NSC Number:
46626
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.142g/mol
Monoisotopic Mass:
191.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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