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Home Carboxys 2,6,6-trimethylcyclohexene-1-carboxylic acid

2,6,6-trimethylcyclohexene-1-carboxylic acid

CAS No.:
471-90-9
Catalog Number:
AG00DL5D
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
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Product Description
Catalog Number:
AG00DL5D
Chemical Name:
2,6,6-trimethylcyclohexene-1-carboxylic acid
CAS Number:
471-90-9
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD06203172
IUPAC Name:
2,6,6-trimethylcyclohexene-1-carboxylic acid
InChI:
InChI=1S/C10H16O2/c1-7-5-4-6-10(2,3)8(7)9(11)12/h4-6H2,1-3H3,(H,11,12)
InChI Key:
XOQRKINTHIDGND-UHFFFAOYSA-N
SMILES:
CC1=C(C(=O)O)C(CCC1)(C)C
EC Number:
207-446-7
UNII:
LJ1U3W65NW
Properties
Complexity:
236  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Analytical aspects of cyanobacterial volatile organic compounds for investigation of their production behavior. Journal of chromatography. A 20100924
Blue color formation of cyanobacteria with beta-cyclocitral. Journal of chemical ecology 20091101
Properties