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88973-39-1 | Acetic acid, (3,5-dimethyl-2-cyclohexen-1-ylidene)-, ethyl ester
CAS No: 88973-39-1 Catalog No: AG0045RR MDL No:
Product Description
Catalog Number:
AG0045RR
Chemical Name:
Acetic acid, (3,5-dimethyl-2-cyclohexen-1-ylidene)-, ethyl ester
CAS Number:
88973-39-1
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
ethyl 2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetate
InChI:
InChI=1S/C12H18O2/c1-4-14-12(13)8-11-6-9(2)5-10(3)7-11/h6,8,10H,4-5,7H2,1-3H3
InChI Key:
GAURDWZNLKLMDZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C1CC(C)CC(=C1)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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