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89261-33-6 | Acetic acid, [2-(3,5-dimethoxyphenyl)cyclohexylidene]-
CAS No: 89261-33-6 Catalog No: AG0041YO MDL No:
Product Description
Catalog Number:
AG0041YO
Chemical Name:
Acetic acid, [2-(3,5-dimethoxyphenyl)cyclohexylidene]-
CAS Number:
89261-33-6
Molecular Formula:
C16H20O4
Molecular Weight:
276.3276
IUPAC Name:
2-[2-(3,5-dimethoxyphenyl)cyclohexylidene]acetic acid
InChI:
InChI=1S/C16H20O4/c1-19-13-7-12(8-14(10-13)20-2)15-6-4-3-5-11(15)9-16(17)18/h7-10,15H,3-6H2,1-2H3,(H,17,18)
InChI Key:
DTVOHMCUSYNMOT-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)C1CCCCC1=CC(=O)O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.332g/mol
Monoisotopic Mass:
276.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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