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79370-78-8 | 5-Hydroxyisophthalonitrile
CAS No: 79370-78-8 Catalog No: AG003MSP MDL No:MFCD11865326
Product Description
Catalog Number:
AG003MSP
Chemical Name:
5-Hydroxyisophthalonitrile
CAS Number:
79370-78-8
Molecular Formula:
C8H4N2O
Molecular Weight:
144.1302
MDL Number:
MFCD11865326
IUPAC Name:
5-hydroxybenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8H4N2O/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3,11H
InChI Key:
CHASTCUDJNQBOZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(O)cc(c1)C#N
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.133g/mol
Monoisotopic Mass:
144.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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