Home Carboxys Cyclohexanecarboxylic acid, 3,4-dimethyl- (9CI)

Cyclohexanecarboxylic acid, 3,4-dimethyl- (9CI)

CAS No.:
681448-23-7
Catalog Number:
AG00FMV0
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
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Product Description
Catalog Number:
AG00FMV0
Chemical Name:
Cyclohexanecarboxylic acid, 3,4-dimethyl- (9CI)
CAS Number:
681448-23-7
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD20405891
IUPAC Name:
3,4-dimethylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H16O2/c1-6-3-4-8(9(10)11)5-7(6)2/h6-8H,3-5H2,1-2H3,(H,10,11)
InChI Key:
HQZRFFDOIJVEFB-UHFFFAOYSA-N
SMILES:
CC1CCC(CC1C)C(=O)O
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties