3-Ethyl-4-(4-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid
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3-Ethyl-4-(4-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid
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CAS No:
1755-52-8
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Formula:
C17H22O3
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Chemical Name:
3-Ethyl-4-(4-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid
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Synonyms:
3-Cyclohexene-1-carboxylic acid,3-ethyl-4-(4-methoxyphenyl)-2-methyl-;3-Cyclohexene-1-carboxylic acid,3-ethyl-4-(p-methoxyphenyl)-2-methyl-;3-Ethyl-4-(4-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid;Carbestrol;3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid;NSC 19962
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CAS No:
3-Ethyl-4-(4-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid Basic Attributes
274.36
274.35
19962
2918990090
Characteristics
46.5
3.98950
1.1381 (rough estimate)
156-157 °C
357.34°C (rough estimate)
152.3ºC
1.4500 (estimate)
5.09E-08mmHg at 25°C
Oral-Human TDL0: 126 mg/kg/6 weeks
Thermal decomposition spicy irritating smoke
Computed Properties
Molecular Weight:274.35
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:274.15689456
Monoisotopic Mass:274.15689456
Topological Polar Surface Area:46.5
Heavy Atom Count:20
Complexity:378
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Ethyl-4-(4-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid
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