1,2-Benzenedicarboxylic acid, 1-(1-ethyl-1-methyl-2-propyn-1-yl) ester
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1,2-Benzenedicarboxylic acid, 1-(1-ethyl-1-methyl-2-propyn-1-yl) ester
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CAS No:
131-67-9
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Formula:
C14H14O4
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Chemical Name:
1,2-Benzenedicarboxylic acid, 1-(1-ethyl-1-methyl-2-propyn-1-yl) ester
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Synonyms:
1,2-Benzenedicarboxylic acid,1-(1-ethyl-1-methyl-2-propyn-1-yl) ester;Phthalic acid,mono(1-ethyl-1-methyl-2-propynyl) ester;1,2-Benzenedicarboxylic acid,mono(1-ethyl-1-methyl-2-propynyl) ester;Phthalic acid,1-ethyl-1-methyl-2-propynyl ester;1-Pentyn-3-ol,3-methyl-,hydrogen phthalate;1-Ethyl-1-methyl-2-propynyl phthalate;Ftalofyne;3-Methyl-1-pentyn-3-yl acid phthalate;Whipcide;Phthalofyne;Methalofyne;1-Ethyl-1-methyl-2-propynyl acid phthalate;2-[[(3-Methylpent-1-yn-3-yl)oxy]carbonyl]benzoic acid;3-Methyl-1-pentyn-3-ol hydrogen phthalate
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CAS No:
1,2-Benzenedicarboxylic acid, 1-(1-ethyl-1-methyl-2-propyn-1-yl) ester Basic Attributes
246.262
246.26
295552
DTXSID9057634
2918990090
Characteristics
63.60000
2.34350
1.194g/cm3
97 °C
411.1ºC at 760mmHg
154.4ºC
1.552
1.71E-07mmHg at 25°C
LD50 oral in mouse: 400mg/kg
1,2-Benzenedicarboxylic acid, 1-(1-ethyl-1-methyl-2-propyn-1-yl) ester Use and Manufacturing
Anthelmintic (veterinary).
Computed Properties
Molecular Weight:246.26
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:246.08920892
Monoisotopic Mass:246.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:18
Complexity:379
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,2-Benzenedicarboxylic acid, 1-(1-ethyl-1-methyl-2-propyn-1-yl) ester
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