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1166-52-5 | Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester
CAS No: 1166-52-5 Catalog No: AG000CV5 MDL No:MFCD00002195
Product Description
Catalog Number:
AG000CV5
Chemical Name:
Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester
CAS Number:
1166-52-5
Molecular Formula:
C19H30O5
Molecular Weight:
338.4385
MDL Number:
MFCD00002195
IUPAC Name:
dodecyl 3,4,5-trihydroxybenzoate
InChI:
InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3
InChI Key:
RPWFJAMTCNSJKK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O
EC Number:
214-620-6
UNII:
45612DY463
NSC Number:
133463
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.209g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
338.444g/mol
Monoisotopic Mass:
338.209g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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