Home Nitriles Propanedinitrile, 2-[(3,4,5-trihydroxyphenyl)methylene]-

Propanedinitrile, 2-[(3,4,5-trihydroxyphenyl)methylene]-

CAS No.:
118409-58-8
Catalog Number:
AG001NLO
Molecular Formula:
C10H6N2O3
Molecular Weight:
202.1662
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Product Description
Catalog Number:
AG001NLO
Chemical Name:
Propanedinitrile, 2-[(3,4,5-trihydroxyphenyl)methylene]-
CAS Number:
118409-58-8
Molecular Formula:
C10H6N2O3
Molecular Weight:
202.1662
MDL Number:
MFCD00133900
IUPAC Name:
2-[(3,4,5-trihydroxyphenyl)methylidene]propanedinitrile
InChI:
InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H
InChI Key:
YZOFLYUAQDJWKV-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cc(O)c(c(c1)O)O)C#N
NSC Number:
676484
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.038g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
202.169g/mol
Monoisotopic Mass:
202.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
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Properties