Isocrotonic acid
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Isocrotonic acid
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CAS No:
503-64-0
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Formula:
C4H6O2
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Chemical Name:
Isocrotonic acid
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Synonyms:
2-Butenoic acid,(2Z)-;Crotonic acid,(Z)-;Isocrotonic acid;2-Butenoic acid,(Z)-;(2Z)-2-Butenoic acid;cis-2-Butenoic acid;cis-Crotonic acid;(Z)-Crotonic acid;(Z)-2-Butenoic acid;(Z)-But-2-enoic acid
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CAS No:
Description
ChEBI: A but-2-enoic acid having a cis- double bond at C-2.
DryPowder|Liquid
Isocrotonic acid is a but-2-enoic acid having a cis- double bond at C-2. It is a conjugate acid of an isocrotonate.
Isocrotonic acid Basic Attributes
86.08920
86.09
207-973-2
85GQ7GL1UM
206946
DTXSID7027544
2916190090
Characteristics
37.30000
0.64710
DryPowder
1.027 g/cm3 @ Temp: 20 °C
15 °C
169 °C
81.6ºC
1.448
1000 mg/mL at 20 °C
24 Pa at 20 deg C
2.97 (air= 1)
EXPLOSIONS HAVE OCCURRED.
Isocrotonic acid Use and Manufacturing
Intermediates
500,000 - 1,000,000 lb
All other basic organic chemical manufacturing|2-Butenoic acid: ACTIVE
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]|Cosmetics -> Stabilizing
Computed Properties
Molecular Weight:86.09
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:86.036779430
Monoisotopic Mass:86.036779430
Topological Polar Surface Area:37.3
Heavy Atom Count:6
Complexity:73.6
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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