2-[(1-oxoisochromen-3-yl)methyl]benzoic acid
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![2-[(1-oxoisochromen-3-yl)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/40c4fdef105a4962b42b6621f6c4895c.png "2-[(1-oxoisochromen-3-yl)methyl]benzoic acid")
2-[(1-oxoisochromen-3-yl)methyl]benzoic acid
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CAS No:
5982-23-0
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Formula:
C17H12O4
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Chemical Name:
2-[(1-oxoisochromen-3-yl)methyl]benzoic acid
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Synonyms:
F 1375;F-1375;F1375;F 1375;5982-23-0;F-1375;(Carboxy-2' benzyl)-3 isocoumarine [French];(Carboxy-2' benzyl)-3 isocoumarine;alpha-(1-Oxo-1H-2-benzopyran-3-yl)-o-toluic acid;Benzoic acid, 2-((1-oxo-1H-2-benzopyran-3-yl)methyl)-;2-[(1-oxoisochromen-3-yl)methyl]benzoic acid;o-Toluic acid, alpha-(1-oxo-1H-2-benzopyran-3-yl)-;DTXSID70208551;F1375;2-[(1-oxo-1 h -isochromen-3-yl)methyl]benzoic acid
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CAS No:
2-[(1-oxoisochromen-3-yl)methyl]benzoic acid Basic Attributes
280.27 g/mol
280.07355886 g/mol
DTXSID70208551
Computed Properties
Molecular Weight:280.27
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:280.07355886
Monoisotopic Mass:280.07355886
Topological Polar Surface Area:63.6
Heavy Atom Count:21
Complexity:454
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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