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80003-85-6 | Benzoic acid, 3,4-dihydroxy-, dodecyl ester
CAS No: 80003-85-6 Catalog No: AG0055H8 MDL No:
Product Description
Catalog Number:
AG0055H8
Chemical Name:
Benzoic acid, 3,4-dihydroxy-, dodecyl ester
CAS Number:
80003-85-6
Molecular Formula:
C19H30O4
Molecular Weight:
322.4391
IUPAC Name:
dodecyl 3,4-dihydroxybenzoate
InChI:
InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-14-23-19(22)16-12-13-17(20)18(21)15-16/h12-13,15,20-21H,2-11,14H2,1H3
InChI Key:
ARMHHBJSMKGRPM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)c1ccc(c(c1)O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.214g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.445g/mol
Monoisotopic Mass:
322.214g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Literature
| Title | Journal |
|---|---|
| Antiproliferative and apoptosis-inducing activities of alkyl gallate and gallamide derivatives related to (-)-epigallocatechin gallate. | Bioorganic & medicinal chemistry 20080901 |
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