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141109-07-1 | Benzoic acid, 4-[(methoxycarbonyl)oxy]-, 4-(decyloxy)phenyl ester
CAS No: 141109-07-1 Catalog No: AG001FXB MDL No:
Product Description
Catalog Number:
AG001FXB
Chemical Name:
Benzoic acid, 4-[(methoxycarbonyl)oxy]-, 4-(decyloxy)phenyl ester
CAS Number:
141109-07-1
Molecular Formula:
C25H32O6
Molecular Weight:
428.5180
IUPAC Name:
(4-decoxyphenyl) 4-methoxycarbonyloxybenzoate
InChI:
InChI=1S/C25H32O6/c1-3-4-5-6-7-8-9-10-19-29-21-15-17-22(18-16-21)30-24(26)20-11-13-23(14-12-20)31-25(27)28-2/h11-18H,3-10,19H2,1-2H3
InChI Key:
GDMVNGWYEYYRFN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)OC(=O)OC
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.22g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.525g/mol
Monoisotopic Mass:
428.22g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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