Benzoic acid, 4-(2-carboxyethenyl)-, 1-(1,1-dimethylethyl) ester, (E)- (9CI)
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Benzoic acid, 4-(2-carboxyethenyl)-, 1-(1,1-dimethylethyl) ester, (E)- (9CI)
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CAS No:
159675-91-9
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Formula:
C14H17O4
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Chemical Name:
Benzoic acid, 4-(2-carboxyethenyl)-, 1-(1,1-dimethylethyl) ester, (E)- (9CI)
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Synonyms:
4-[(E)-2-Carboxyvinyl]-1-(2-methyl-2-propanyl)-2,4-cyclohexadiene-1-carboxylic acid
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CAS No:
Benzoic acid, 4-(2-carboxyethenyl)-, 1-(1,1-dimethylethyl) ester, (E)- (9CI) Basic Attributes
249.28238
250.121
Computed Properties
Molecular Weight:250.29
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:250.12050905
Monoisotopic Mass:250.12050905
Topological Polar Surface Area:74.6
Heavy Atom Count:18
Complexity:449
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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