Benzoic acid, 4-[(1E)-3-carboxy-1-propenyl]-, 1-ethyl ester (9CI)
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![Benzoic acid, 4-[(1E)-3-carboxy-1-propenyl]-, 1-ethyl ester (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/504305e538fc43a6940f2d6596d8a42d.png "Benzoic acid, 4-[(1E)-3-carboxy-1-propenyl]-, 1-ethyl ester (9CI)")
Benzoic acid, 4-[(1E)-3-carboxy-1-propenyl]-, 1-ethyl ester (9CI)
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CAS No:
887339-22-2
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Formula:
C13H14O4
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Chemical Name:
Benzoic acid, 4-[(1E)-3-carboxy-1-propenyl]-, 1-ethyl ester (9CI)
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Synonyms:
(3E)-4-[4-(Ethoxycarbonyl)phenyl]-3-butenoic acid;SCHEMBL3688777;SCHEMBL3688782;ZINC39117726;ethyl 4-((1E)-3-carboxyprop-1-enyl)benzoate;(E)-4-(4-ethoxycarbonylphenyl)but-3-enoic acid
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CAS No:
Benzoic acid, 4-[(1E)-3-carboxy-1-propenyl]-, 1-ethyl ester (9CI) Basic Attributes
234.24786
234.089
Computed Properties
Molecular Weight:234.25
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:234.08920892
Monoisotopic Mass:234.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:17
Complexity:288
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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