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139257-09-3 | 2-Propenoic acid, 3-(2,2,6-trimethylcyclohexyl)-, ethyl ester
CAS No: 139257-09-3 Catalog No: AG001AKU MDL No:
Product Description
Catalog Number:
AG001AKU
Chemical Name:
2-Propenoic acid, 3-(2,2,6-trimethylcyclohexyl)-, ethyl ester
CAS Number:
139257-09-3
Molecular Formula:
C14H24O2
Molecular Weight:
224.3392
IUPAC Name:
ethyl 3-(2,2,6-trimethylcyclohexyl)prop-2-enoate
InChI:
InChI=1S/C14H24O2/c1-5-16-13(15)9-8-12-11(2)7-6-10-14(12,3)4/h8-9,11-12H,5-7,10H2,1-4H3
InChI Key:
WSECRKZDIDOISF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=CC1C(C)CCCC1(C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.344g/mol
Monoisotopic Mass:
224.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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