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89261-35-8 | Cyclohexaneacetic acid, 2-(3,5-dimethoxyphenyl)-, trans-
CAS No: 89261-35-8 Catalog No: AG0041YN MDL No:
Product Description
Catalog Number:
AG0041YN
Chemical Name:
Cyclohexaneacetic acid, 2-(3,5-dimethoxyphenyl)-, trans-
CAS Number:
89261-35-8
Molecular Formula:
C16H22O4
Molecular Weight:
278.3435
IUPAC Name:
2-[(1S,2R)-2-(3,5-dimethoxyphenyl)cyclohexyl]acetic acid
InChI:
InChI=1S/C16H22O4/c1-19-13-7-12(8-14(10-13)20-2)15-6-4-3-5-11(15)9-16(17)18/h7-8,10-11,15H,3-6,9H2,1-2H3,(H,17,18)/t11-,15+/m0/s1
InChI Key:
SHOCJQLHVRUWDA-XHDPSFHLSA-N
SMILES:
COc1cc(cc(c1)OC)[C@@H]1CCCC[C@H]1CC(=O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
278.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.348g/mol
Monoisotopic Mass:
278.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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