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116539-63-0 | 1,2-Benzenedicarbonitrile, 3-(decyloxy)-6-hydroxy-
CAS No: 116539-63-0 Catalog No: AG000CPV MDL No:
Product Description
Catalog Number:
AG000CPV
Chemical Name:
1,2-Benzenedicarbonitrile, 3-(decyloxy)-6-hydroxy-
CAS Number:
116539-63-0
Molecular Formula:
C18H24N2O2
Molecular Weight:
300.3954
IUPAC Name:
3-decoxy-6-hydroxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C18H24N2O2/c1-2-3-4-5-6-7-8-9-12-22-18-11-10-17(21)15(13-19)16(18)14-20/h10-11,21H,2-9,12H2,1H3
InChI Key:
PDJXUNKZQOZUNJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(c(c1C#N)C#N)O
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.184g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.402g/mol
Monoisotopic Mass:
300.184g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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