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114042-06-7 | Cyclohexaneacetic acid, 3,4-dimethyl-1-(2-oxo-2-phenylethyl)-
CAS No: 114042-06-7 Catalog No: AG000AD0 MDL No:
Product Description
Catalog Number:
AG000AD0
Chemical Name:
Cyclohexaneacetic acid, 3,4-dimethyl-1-(2-oxo-2-phenylethyl)-
CAS Number:
114042-06-7
Molecular Formula:
C18H24O3
Molecular Weight:
288.3814
IUPAC Name:
2-(3,4-dimethyl-1-phenacylcyclohexyl)acetic acid
InChI:
InChI=1S/C18H24O3/c1-13-8-9-18(10-14(13)2,12-17(20)21)11-16(19)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,20,21)
InChI Key:
AISQENUTLJSEMP-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(CCC(C(C1)C)C)CC(=O)c1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.387g/mol
Monoisotopic Mass:
288.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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