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Home > Nitro Compounds > 30436-87-4
30436-87-4 | 1,3-Naphthalenediol, 2,4-dinitroso-
CAS No: 30436-87-4 Catalog No: AG00304R MDL No:
Product Description
Catalog Number:
AG00304R
Chemical Name:
1,3-Naphthalenediol, 2,4-dinitroso-
CAS Number:
30436-87-4
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
IUPAC Name:
2,4-bis(hydroxyimino)naphthalene-1,3-dione
InChI:
InChI=1S/C10H6N2O4/c13-9-6-4-2-1-3-5(6)7(11-15)10(14)8(9)12-16/h1-4,15-16H
InChI Key:
TVUCGHFNVJEZDY-UHFFFAOYSA-N
SMILES:
O=Nc1c(O)c(N=O)c2c(c1O)cccc2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.168g/mol
Monoisotopic Mass:
218.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.4
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