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128840-36-8 | 2-Propenoic acid, 2-methyl-, 4-(1,1-dimethylethyl)-2-hydroxycyclohexyl ester
CAS No: 128840-36-8 Catalog No: AG000YEW MDL No:
Product Description
Catalog Number:
AG000YEW
Chemical Name:
2-Propenoic acid, 2-methyl-, 4-(1,1-dimethylethyl)-2-hydroxycyclohexyl ester
CAS Number:
128840-36-8
Molecular Formula:
C14H24O3
Molecular Weight:
240.3386
IUPAC Name:
3-(4-tert-butyl-2-hydroxycyclohexyl)-2-methylprop-2-enoate
InChI:
InChI=1S/C14H24O3/c1-9(13(16)17)7-10-5-6-11(8-12(10)15)14(2,3)4/h7,10-12,15H,5-6,8H2,1-4H3,(H,16,17)/p-1
InChI Key:
HQCFGIFFVCFWGT-UHFFFAOYSA-M
SMILES:
OC1CC(CCC1OC(=O)C(=C)C)C(C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.165g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.335g/mol
Monoisotopic Mass:
239.165g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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