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125482-06-6 | Benzoic acid, 3,5-bis(decyloxy)-, methyl ester
CAS No: 125482-06-6 Catalog No: AG000NQO MDL No:
Product Description
Catalog Number:
AG000NQO
Chemical Name:
Benzoic acid, 3,5-bis(decyloxy)-, methyl ester
CAS Number:
125482-06-6
Molecular Formula:
C28H48O4
Molecular Weight:
448.6783
IUPAC Name:
methyl 3,5-didecoxybenzoate
InChI:
InChI=1S/C28H48O4/c1-4-6-8-10-12-14-16-18-20-31-26-22-25(28(29)30-3)23-27(24-26)32-21-19-17-15-13-11-9-7-5-2/h22-24H,4-21H2,1-3H3
InChI Key:
MFTFEQAKWUOZGL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1cc(OCCCCCCCCCC)cc(c1)C(=O)OC
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.355g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.688g/mol
Monoisotopic Mass:
448.355g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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