5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid
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5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid
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CAS No:
5285-18-7
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Formula:
C12H10O4
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Chemical Name:
5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid
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Synonyms:
2,4-Pentadienoic acid,5-(1,3-benzodioxol-5-yl)-;5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid;NSC 129538
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CAS No:
Safety Information
UN 2811 6.1 / PGIII
3
22-52/53
61
Xn
P264, P270, P301+P310, P321, P330, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:218.20
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:218.05790880
Monoisotopic Mass:218.05790880
Topological Polar Surface Area:55.8
Heavy Atom Count:16
Complexity:308
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid
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