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76563-19-4 | Benzoic acid, 4-(decyloxy)-, 4-(octyloxy)phenyl ester
CAS No: 76563-19-4 Catalog No: AG005KGV MDL No:
Product Description
Catalog Number:
AG005KGV
Chemical Name:
Benzoic acid, 4-(decyloxy)-, 4-(octyloxy)phenyl ester
CAS Number:
76563-19-4
Molecular Formula:
C31H46O4
Molecular Weight:
482.6945
IUPAC Name:
(4-octoxyphenyl) 4-decoxybenzoate
InChI:
InChI=1S/C31H46O4/c1-3-5-7-9-11-12-14-16-25-33-28-19-17-27(18-20-28)31(32)35-30-23-21-29(22-24-30)34-26-15-13-10-8-6-4-2/h17-24H,3-16,25-26H2,1-2H3
InChI Key:
XFWVAMYMZVCVCC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OCCCCCCCC
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.34g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
482.705g/mol
Monoisotopic Mass:
482.34g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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