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13064-83-0 | Cyclohexanecarboxylic acid, 4-methyl-, trans-
CAS No: 13064-83-0 Catalog No: AG000UQW MDL No:MFCD00074943
Product Description
Catalog Number:
AG000UQW
Chemical Name:
Cyclohexanecarboxylic acid, 4-methyl-, trans-
CAS Number:
13064-83-0
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD00074943
IUPAC Name:
4-methylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChI Key:
QTDXSEZXAPHVBI-UHFFFAOYSA-N
SMILES:
C[C@@H]1CC[C@H](CC1)C(=O)O
NSC Number:
124039
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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