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89226-86-8 | 2-Naphthalenecarbonitrile, 5,8-dihydro-6,7-dihydroxy-5,8-dioxo-
CAS No: 89226-86-8 Catalog No: AG0043GG MDL No:
Product Description
Catalog Number:
AG0043GG
Chemical Name:
2-Naphthalenecarbonitrile, 5,8-dihydro-6,7-dihydroxy-5,8-dioxo-
CAS Number:
89226-86-8
Molecular Formula:
C11H5NO4
Molecular Weight:
215.1617
IUPAC Name:
6,7-dihydroxy-5,8-dioxonaphthalene-2-carbonitrile
InChI:
InChI=1S/C11H5NO4/c12-4-5-1-2-6-7(3-5)9(14)11(16)10(15)8(6)13/h1-3,15-16H
InChI Key:
AMIISLLTNIUJNX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C(=O)C(=C(C2=O)O)O
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.022g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.164g/mol
Monoisotopic Mass:
215.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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