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Trans-4-Methylcyclohexanecarboxylic Acid

Catalog Number
ACM13064830
Product Name
Trans-4-Methylcyclohexanecarboxylic Acid
Structure
CAS
13064-83-0
Category
Liquid Crystal (LC) Building Blocks
Synonyms
4-Methyl-1-Cyclohexanecarboxylic Acid
IUPAC Name
4-methylcyclohexane-1-carboxylic acid
Molecular Weight
142.2
Molecular Formula
C8H14O2
Canonical SMILES
CCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N
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
Boiling Point
245 ºC
Melting Point
109-111 ºC
Purity
95%+
Density
1.025±0.06 g/ml
Complexity
123
Covalently-Bonded Unit Count
1
EC Number
224-369-4;235-959-6;213-289-5
Exact Mass
142.09938g/mol
Formal Charge
0
Heavy Atom Count
10
Monoisotopic Mass
142.09938g/mol
NSC Number
124039
Rotatable Bond Count
1
UNII
70F0I2AMTV;M7DSK28350
XLogP3
2.1
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