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88166-26-1 | Acetic acid, [4-(1,1-dimethylethyl)cyclohexylidene]-, methyl ester
CAS No: 88166-26-1 Catalog No: AG004EZ2 MDL No:
Product Description
Catalog Number:
AG004EZ2
Chemical Name:
Acetic acid, [4-(1,1-dimethylethyl)cyclohexylidene]-, methyl ester
CAS Number:
88166-26-1
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
methyl 2-(4-tert-butylcyclohexylidene)acetate
InChI:
InChI=1S/C13H22O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h9,11H,5-8H2,1-4H3
InChI Key:
NQNXNOABYCBNGX-UHFFFAOYSA-N
SMILES:
COC(=O)C=C1CCC(CC1)C(C)(C)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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