(E)-3-phenylsulfanylprop-2-enoic acid
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(E)-3-phenylsulfanylprop-2-enoic acid
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CAS No:
63413-91-2
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Formula:
C9H8O2S
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Chemical Name:
(E)-3-phenylsulfanylprop-2-enoic acid
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Synonyms:
3-(Phenylthio)acrylic acid;(E)-3-phenylsulfanylprop-2-enoic acid;(2E)-3-(PHENYLSULFANYL)PROP-2-ENOIC ACID;63413-91-2;706-01-4;NSC122682;SCHEMBL600478;HMS1737K20;ZINC1492968;AKOS001139143;NSC-122682;(2E)-3-(Phenylsulfanyl)-2-propenoic acid #;EN300-14626;Isoquinoline-4-boronicacid2,2-dimethylpropanediol-1,3cyclicester;4ZD
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CAS No:
Safety Information
|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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:180.23
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.02450067
Monoisotopic Mass:180.02450067
Topological Polar Surface Area:62.6
Heavy Atom Count:12
Complexity:171
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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