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177959-99-8 | Benzoic acid, 4-hydroxy-3,5-dimethoxy-, octyl ester
CAS No: 177959-99-8 Catalog No: AG0025NF MDL No:
Product Description
Catalog Number:
AG0025NF
Chemical Name:
Benzoic acid, 4-hydroxy-3,5-dimethoxy-, octyl ester
CAS Number:
177959-99-8
Molecular Formula:
C17H26O5
Molecular Weight:
310.3853
IUPAC Name:
octyl 4-hydroxy-3,5-dimethoxybenzoate
InChI:
InChI=1S/C17H26O5/c1-4-5-6-7-8-9-10-22-17(19)13-11-14(20-2)16(18)15(12-13)21-3/h11-12,18H,4-10H2,1-3H3
InChI Key:
FIQXZZCOIPBKNS-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)c1cc(OC)c(c(c1)OC)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.39g/mol
Monoisotopic Mass:
310.178g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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