Propanedinitrile, [(3,4-dihydroxyphenyl)methylene]-


Chemical Name: Propanedinitrile, [(3,4-dihydroxyphenyl)methylene]-
CAS Number: 118409-57-7
Product Number: AG007QB5(AGN-PC-0JK63U)
Synonyms:
MDL No:
Molecular Formula: C10H6N2O2
Molecular Weight: 186.1668

Identification/Properties


Computed Properties
Molecular Weight:
186.17g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
186.043g/mol
Monoisotopic Mass:
186.043g/mol
Topological Polar Surface Area:
88A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
313
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



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