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88208-99-5 | Benzeneheptanoic acid, 3,5-dimethoxy-, methyl ester
CAS No: 88208-99-5 Catalog No: AG004C1B MDL No:
Product Description
Catalog Number:
AG004C1B
Chemical Name:
Benzeneheptanoic acid, 3,5-dimethoxy-, methyl ester
CAS Number:
88208-99-5
Molecular Formula:
C16H24O4
Molecular Weight:
280.3594
IUPAC Name:
methyl 7-(3,5-dimethoxyphenyl)heptanoate
InChI:
InChI=1S/C16H24O4/c1-18-14-10-13(11-15(12-14)19-2)8-6-4-5-7-9-16(17)20-3/h10-12H,4-9H2,1-3H3
InChI Key:
GTIOLUSTGUFEAU-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCc1cc(OC)cc(c1)OC
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.167g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.364g/mol
Monoisotopic Mass:
280.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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