4-(3-ALLYL-4-OXO-THIAZOLIDIN-2-YLIDENEAMINO)-BENZOIC ACID
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4-(3-ALLYL-4-OXO-THIAZOLIDIN-2-YLIDENEAMINO)-BENZOIC ACID
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CAS No:
303093-13-2
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Formula:
C13H12N2O3S
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Chemical Name:
4-(3-ALLYL-4-OXO-THIAZOLIDIN-2-YLIDENEAMINO)-BENZOIC ACID
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Synonyms:
4-(3-Allyl-4-oxo-thiazolidin-2-ylideneamino)-benzoic acid;Benzoic acid,4-[[4-oxo-3-(2-propen-1-yl)-2-thiazolidinylidene]amino]-;4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)azamethyl]benzoic acid;CBMicro_036340;MLS001212985;CHEMBL3210885;CTK4G4846;DTXSID30362002;HMS1683F07;HMS2829K10
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CAS No:
4-(3-ALLYL-4-OXO-THIAZOLIDIN-2-YLIDENEAMINO)-BENZOIC ACID Basic Attributes
276.31
276.05700
DTXSID30362002
2934999090
Safety Information
IRRITANT
25
45
Xi,T
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:276.31
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:276.05686342
Monoisotopic Mass:276.05686342
Topological Polar Surface Area:95.3
Heavy Atom Count:19
Complexity:414
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(3-ALLYL-4-OXO-THIAZOLIDIN-2-YLIDENEAMINO)-BENZOIC ACID
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