Benzeneacetic acid, alpha-(hydroxymethylene)-2-methyl-, ethyl ester (9CI)
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Benzeneacetic acid, alpha-(hydroxymethylene)-2-methyl-, ethyl ester (9CI)
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CAS No:
795274-97-4
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Formula:
C12H14O3
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Chemical Name:
Benzeneacetic acid, alpha-(hydroxymethylene)-2-methyl-, ethyl ester (9CI)
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Synonyms:
Ethyl (2E)-3-hydroxy-2-(2-methylphenyl)acrylate;ZINC100270107
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CAS No:
Benzeneacetic acid, alpha-(hydroxymethylene)-2-methyl-, ethyl ester (9CI) Basic Attributes
206.23776
206.094
Computed Properties
Molecular Weight:206.24
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:206.094294304
Monoisotopic Mass:206.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:15
Complexity:245
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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