3-Methoxycyclohexanecarboxylic acid
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3-Methoxycyclohexanecarboxylic acid
structure -
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CAS No:
99799-10-7
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Formula:
C8H14O3
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Chemical Name:
3-Methoxycyclohexanecarboxylic acid
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Synonyms:
Cyclohexanecarboxylic acid,3-methoxy-;3-Methoxycyclohexanecarboxylic acid;3-Methoxycyclohexane-1-carboxylic acid
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CAS No:
Characteristics
46.53000
1.27620
1.087 g/mL at 25 °C(lit.)
140-142 °C @ Press: 5 Torr
>230ºF
n20/D 1.4683(lit.)
Safety Information
3
36/37/38
26-37/39
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 128 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:158.19
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:158.094294304
Monoisotopic Mass:158.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:11
Complexity:144
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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