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84522-27-0 | Bicyclo[2.2.2]octane-2-carboxylicacid, 5-methyl-7-(1-methylethyl)-, methyl ester
CAS No: 84522-27-0 Catalog No: AG0053X2 MDL No:
Product Description
Catalog Number:
AG0053X2
Chemical Name:
Bicyclo[2.2.2]octane-2-carboxylicacid, 5-methyl-7-(1-methylethyl)-, methyl ester
CAS Number:
84522-27-0
Molecular Formula:
C14H24O2
Molecular Weight:
224.3392
IUPAC Name:
methyl 5-methyl-7-propan-2-ylbicyclo[2.2.2]octane-2-carboxylate
InChI:
InChI=1S/C14H24O2/c1-8(2)11-6-10-7-13(14(15)16-4)12(11)5-9(10)3/h8-13H,5-7H2,1-4H3
InChI Key:
GDVXOQCKZGGAQG-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC2CC(C1CC2C)C(C)C
EC Number:
283-022-5
Properties
Complexity:
272
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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