3-Cyclohexene-1-carboxylic acid
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3-Cyclohexene-1-carboxylic acid
structure -
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CAS No:
4771-80-6
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Formula:
C7H10O2
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Chemical Name:
3-Cyclohexene-1-carboxylic acid
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Synonyms:
3-Cyclohexene-1-carboxylic acid;Δ3-Cyclohexenecarboxylic acid;Δ3-Cyclohexenylcarboxylic acid;3-Cyclohexenecarboxylic acid;1-Cyclohexene-4-carboxylic acid;3-Cyclohexenylcarboxylic acid;(±)-3-Cyclohexene-1-carboxylic acid;NSC 44712;NSC 44883;3-Cyclohexenyl-1-formic acid;114774-78-6;49543-08-0
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CAS No:
Characteristics
37.30000
1.3
1.081 g/cm3 @ Temp: 15 °C
17 °C
234.5 °C
109.9ºC
1.48-1.482
insoluble
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
Safety Information
III
UN 3265
3
R21; R34
S26-S36/37/39-S45
GW3675000
C
Stable. Combustible. Incompatible with bases, strong oxidizing agents.
P280-P305 + P351 + P338-P310
H312-H314
|Danger|H312 (95.83%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P363, P405, and P501|Aggregated GHS information provided by 48 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Cyclohexene-1-carboxylic acid Use and Manufacturing
3-Cyclohexene-1-carboxylic acid: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:126.15
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:126.068079557
Monoisotopic Mass:126.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:138
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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