2-Hexenoic acid
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2-Hexenoic acid
structure -
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CAS No:
1191-04-4
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Formula:
C6H10O2
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Chemical Name:
2-Hexenoic acid
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Synonyms:
2-Hexenoic acid;α-Hexenoic acid
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CAS No:
Characteristics
37.30000
1.87
Solid
0.949 g/cm3 @ Temp: 40 °C
36.5 °C
216.5 °C
115.4±9.6 °C
1.456
Soluble in ether, propylene glycol, and most fixed oils; Slightly soluble in water
Safety Information
UN 2829 8/PG 3
3
34
26-36/37/39-45
C: Corrosive;
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 103 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:114.14
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:94.7
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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