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169179-40-2 | 4-Hexenenitrile, 2-[(diphenylmethylene)amino]-6-hydroxy-, (4E)-
CAS No: 169179-40-2 Catalog No: AG001YIU MDL No:
Product Description
Catalog Number:
AG001YIU
Chemical Name:
4-Hexenenitrile, 2-[(diphenylmethylene)amino]-6-hydroxy-, (4E)-
CAS Number:
169179-40-2
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
IUPAC Name:
2-(benzhydrylideneamino)-6-hydroxyhex-4-enenitrile
InChI:
InChI=1S/C19H18N2O/c20-15-18(13-7-8-14-22)21-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-12,18,22H,13-14H2
InChI Key:
XFZHIKSPEDCXNX-UHFFFAOYSA-N
SMILES:
OC/C=C/CC(N=C(c1ccccc1)c1ccccc1)C#N
Properties
Complexity:
400
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:
1
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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