4-PHENYLETHYNYL-BENZOICACID
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4-PHENYLETHYNYL-BENZOICACID
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CAS No:
25739-23-5
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Formula:
C15H10O2
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Chemical Name:
4-PHENYLETHYNYL-BENZOICACID
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Synonyms:
RARECHEM AL BO 1652;ART-CHEM-BB B025059;4-PHENYLETHYNYL-BENZOIC ACID;AKOS B025059;AKOS BAR-2464;Albb-005706;4-(2-phenylethynyl)benzoic acid;·?Benzoic acid, 4-?(2-?phenylethynyl)?-
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CAS No:
Characteristics
1.25±0.1 g/cm3
220.5-221.0 °C(Solv: ethanol (64-17-5))
407.3±28.0 °C(Predicted)
4.08±0.10
Safety Information
IRRITANT
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:222.24
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:222.068079557
Monoisotopic Mass:222.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:17
Complexity:319
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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