1,3-Benzenedicarbonitrile, 5-hydroxy-


Chemical Name: 1,3-Benzenedicarbonitrile, 5-hydroxy-
CAS Number: 79370-78-8
Product Number: AG003MSP(AGN-PC-03I6E7)
Synonyms:
MDL No: MFCD11865326
Molecular Formula: C8H4N2O
Molecular Weight: 144.1302

Identification/Properties


Properties
MP:
266℃
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
144.133g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
144.032g/mol
Monoisotopic Mass:
144.032g/mol
Topological Polar Surface Area:
67.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
207
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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