Home Carboxys 1-Cyclohexene-1-carboxylic acid, 2,4,4-trimethyl-

1-Cyclohexene-1-carboxylic acid, 2,4,4-trimethyl-

CAS No.:
18088-97-6
Catalog Number:
AG0022FD
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
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Product Description
Catalog Number:
AG0022FD
Chemical Name:
1-Cyclohexene-1-carboxylic acid, 2,4,4-trimethyl-
CAS Number:
18088-97-6
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD20638595
IUPAC Name:
2,4,4-trimethylcyclohexene-1-carboxylic acid
InChI:
InChI=1S/C10H16O2/c1-7-6-10(2,3)5-4-8(7)9(11)12/h4-6H2,1-3H3,(H,11,12)
InChI Key:
YTWWEINCKYNWLW-UHFFFAOYSA-N
SMILES:
CC1=C(CCC(C1)(C)C)C(=O)O
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:
2.3  
Properties