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119058-72-9 | 2-Propenoic acid, 2-methyl-, trimethylcyclohexyl ester
CAS No: 119058-72-9 Catalog No: AG000I4P MDL No:
Product Description
Catalog Number:
AG000I4P
Chemical Name:
2-Propenoic acid, 2-methyl-, trimethylcyclohexyl ester
CAS Number:
119058-72-9
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
(1,2,2-trimethylcyclohexyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C13H22O2/c1-10(2)11(14)15-13(5)9-7-6-8-12(13,3)4/h1,6-9H2,2-5H3
InChI Key:
APAUNQLFVGBQQW-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OC1(C)CCCCC1(C)C
Properties
Complexity:
278
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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