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88269-71-0

88269-71-0 | Cyclohexanecarboxylic acid, 2,2-dimethyl-6-methylene-

CAS No: 88269-71-0 Catalog No: AG0049VQ MDL No:

Product Description

Catalog Number:
AG0049VQ
Chemical Name:
Cyclohexanecarboxylic acid, 2,2-dimethyl-6-methylene-
CAS Number:
88269-71-0
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
2,2-dimethyl-6-methylidenecyclohexane-1-carboxylic acid
InChI:
InChI=1S/C10H16O2/c1-7-5-4-6-10(2,3)8(7)9(11)12/h8H,1,4-6H2,2-3H3,(H,11,12)
InChI Key:
JOJUNSZLWDEVCI-UHFFFAOYSA-N
SMILES:
C=C1CCCC(C1C(=O)O)(C)C

Properties

Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Literature

Title Journal
Total synthesis of (+)-acanthodoral by the use of a Pd-catalyzed metal-ene reaction and a nonreductive 5-exo-acyl radical cyclization. Organic letters 20040219

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