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51484-05-0 | 6-Nitro-4H-chromen-4-one
CAS No: 51484-05-0 Catalog No: AG003NBD MDL No:MFCD02954226
Product Description
Catalog Number:
AG003NBD
Chemical Name:
6-Nitro-4H-chromen-4-one
CAS Number:
51484-05-0
Molecular Formula:
C9H5NO4
Molecular Weight:
191.1403
MDL Number:
MFCD02954226
IUPAC Name:
6-nitrochromen-4-one
InChI:
InChI=1S/C9H5NO4/c11-8-3-4-14-9-2-1-6(10(12)13)5-7(8)9/h1-5H
InChI Key:
ORWADBVBOPTYQT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)cco2
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:
1.6
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