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151080-53-4 | Benzoic acid, 4-(3-buten-1-yloxy)-, 4-pentylphenyl ester
CAS No: 151080-53-4 Catalog No: AG001N2B MDL No:
Product Description
Catalog Number:
AG001N2B
Chemical Name:
Benzoic acid, 4-(3-buten-1-yloxy)-, 4-pentylphenyl ester
CAS Number:
151080-53-4
Molecular Formula:
C22H26O3
Molecular Weight:
338.4400
IUPAC Name:
(4-pentylphenyl) 4-but-3-enoxybenzoate
InChI:
InChI=1S/C22H26O3/c1-3-5-7-8-18-9-13-21(14-10-18)25-22(23)19-11-15-20(16-12-19)24-17-6-4-2/h4,9-16H,2-3,5-8,17H2,1H3
InChI Key:
XEEIYSVWRHTHHC-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)OC(=O)c1ccc(cc1)OCCC=C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.188g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.447g/mol
Monoisotopic Mass:
338.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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