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116352-70-6 | Benzoic acid, 4-(6-hepten-1-yloxy)-, 4-cyanophenyl ester
CAS No: 116352-70-6 Catalog No: AG000C9F MDL No:
Product Description
Catalog Number:
AG000C9F
Chemical Name:
Benzoic acid, 4-(6-hepten-1-yloxy)-, 4-cyanophenyl ester
CAS Number:
116352-70-6
Molecular Formula:
C21H21NO3
Molecular Weight:
335.3963
IUPAC Name:
(4-cyanophenyl) 4-hept-6-enoxybenzoate
InChI:
InChI=1S/C21H21NO3/c1-2-3-4-5-6-15-24-19-13-9-18(10-14-19)21(23)25-20-11-7-17(16-22)8-12-20/h2,7-14H,1,3-6,15H2
InChI Key:
DOACRKFJXMHTPY-UHFFFAOYSA-N
SMILES:
C=CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.152g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.403g/mol
Monoisotopic Mass:
335.152g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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