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Home > Nitro Compounds > 4655-62-3
4655-62-3 | 1,4-Dihydroxy-5-nitronaphthalene-2,3-dicarbonitrile
CAS No: 4655-62-3 Catalog No: AG003FI0 MDL No:MFCD00671523
Product Description
Catalog Number:
AG003FI0
Chemical Name:
1,4-Dihydroxy-5-nitronaphthalene-2,3-dicarbonitrile
CAS Number:
4655-62-3
Molecular Formula:
C12H5N3O4
Molecular Weight:
255.1858
MDL Number:
MFCD00671523
IUPAC Name:
1,4-dihydroxy-5-nitronaphthalene-2,3-dicarbonitrile
InChI:
InChI=1S/C12H5N3O4/c13-4-7-8(5-14)12(17)10-6(11(7)16)2-1-3-9(10)15(18)19/h1-3,16-17H
InChI Key:
FFSZGCAJTTUCCU-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)c(O)c2c(c1O)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.189g/mol
Monoisotopic Mass:
255.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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