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102147-31-9 | Propanoic acid, 2,2-dimethyl-, 2-cyclohexen-1-yl ester
CAS No: 102147-31-9 Catalog No: AG0006RE MDL No:
Product Description
Catalog Number:
AG0006RE
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 2-cyclohexen-1-yl ester
CAS Number:
102147-31-9
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
cyclohex-2-en-1-yl 2,2-dimethylpropanoate
InChI:
InChI=1S/C11H18O2/c1-11(2,3)10(12)13-9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3
InChI Key:
SBZDFUXHHREQBL-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)OC1CCCC=C1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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