Home Carboxys 1-Cyclohexene-1-carboxylic acid, 5,5-dimethyl- (9CI)

1-Cyclohexene-1-carboxylic acid, 5,5-dimethyl- (9CI)

CAS No.:
57365-74-9
Catalog Number:
AG00ERUK
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
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Product Description
Catalog Number:
AG00ERUK
Chemical Name:
1-Cyclohexene-1-carboxylic acid, 5,5-dimethyl- (9CI)
CAS Number:
57365-74-9
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD18806773
IUPAC Name:
5,5-dimethylcyclohexene-1-carboxylic acid
InChI:
InChI=1S/C9H14O2/c1-9(2)5-3-4-7(6-9)8(10)11/h4H,3,5-6H2,1-2H3,(H,10,11)
InChI Key:
QWFFNEGDOLEQKA-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CCCC(C1)(C)C
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties