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42815-59-8 | 4-(Octyloxy);phenyl 4-butylbenzoate
CAS No: 42815-59-8 Catalog No: AG003LX6 MDL No:MFCD00060084
Product Description
Catalog Number:
AG003LX6
Chemical Name:
4-(Octyloxy);phenyl 4-butylbenzoate
CAS Number:
42815-59-8
Molecular Formula:
C25H34O3
Molecular Weight:
382.5357
MDL Number:
MFCD00060084
IUPAC Name:
(4-octoxyphenyl) 4-butylbenzoate
InChI:
InChI=1S/C25H34O3/c1-3-5-7-8-9-10-20-27-23-16-18-24(19-17-23)28-25(26)22-14-12-21(13-15-22)11-6-4-2/h12-19H,3-11,20H2,1-2H3
InChI Key:
DESAJRHSCPKXHK-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)CCCC
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.251g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.544g/mol
Monoisotopic Mass:
382.251g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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