2-Methylcyclohexanecarboxylic acid
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2-Methylcyclohexanecarboxylic acid
structure -
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CAS No:
56586-13-1
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Formula:
C8H14O2
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Chemical Name:
2-Methylcyclohexanecarboxylic acid
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Synonyms:
Cyclohexanecarboxylic acid,2-methyl-;2-Methylcyclohexanecarboxylic acid;2-Methyl-1-cyclohexanecarboxylic acid
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CAS No:
Characteristics
37.3 Ų
1.009 g/mL at 25 °C (lit.)
79-80 °C
101-102 °C @ Press: 2 Torr
n20/D 1.4633(lit.)
5.43±0.28
Safety Information
NA 1993 / PGIII
3
22-41
26-39
Xn
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:142.20
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:131
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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