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158475-59-3 | 1,2-Benzenedicarbonitrile, 3-[(4-butylphenyl)methoxy]-
CAS No: 158475-59-3 Catalog No: AG001Q82 MDL No:
Product Description
Catalog Number:
AG001Q82
Chemical Name:
1,2-Benzenedicarbonitrile, 3-[(4-butylphenyl)methoxy]-
CAS Number:
158475-59-3
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
IUPAC Name:
3-[(4-butylphenyl)methoxy]benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C19H18N2O/c1-2-3-5-15-8-10-16(11-9-15)14-22-19-7-4-6-17(12-20)18(19)13-21/h4,6-11H,2-3,5,14H2,1H3
InChI Key:
PENJPDXEMYZRRI-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)COc1cccc(c1C#N)C#N
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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