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87342-08-3 | 1-Cyclohexene-1-acetic acid, 3,5-dimethyl-, ethyl ester
CAS No: 87342-08-3 Catalog No: AG004HO1 MDL No:
Product Description
Catalog Number:
AG004HO1
Chemical Name:
1-Cyclohexene-1-acetic acid, 3,5-dimethyl-, ethyl ester
CAS Number:
87342-08-3
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
ethyl 2-(3,5-dimethylcyclohexen-1-yl)acetate
InChI:
InChI=1S/C12H20O2/c1-4-14-12(13)8-11-6-9(2)5-10(3)7-11/h6,9-10H,4-5,7-8H2,1-3H3
InChI Key:
FNTPDJFAUKUQIA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1=CC(CC(C1)C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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