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Home > Nitro Compounds > 75758-22-4
75758-22-4 | 2H-1-Benzopyran-3-carbonitrile, 4-hydroxy-6-nitro-2-oxo-
CAS No: 75758-22-4 Catalog No: AG005IEZ MDL No:
Product Description
Catalog Number:
AG005IEZ
Chemical Name:
2H-1-Benzopyran-3-carbonitrile, 4-hydroxy-6-nitro-2-oxo-
CAS Number:
75758-22-4
Molecular Formula:
C10H4N2O5
Molecular Weight:
232.1492
IUPAC Name:
4-hydroxy-6-nitro-2-oxochromene-3-carbonitrile
InChI:
InChI=1S/C10H4N2O5/c11-4-7-9(13)6-3-5(12(15)16)1-2-8(6)17-10(7)14/h1-3,13H
InChI Key:
DPDCJDCSJGDJBL-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)oc2c(c1O)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.012g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.151g/mol
Monoisotopic Mass:
232.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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