2-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanylbenzoic acid
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![2-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/caf134f25f5144c29593b78960b8b71b.png "2-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanylbenzoic acid")
2-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanylbenzoic acid
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CAS No:
721406-44-6
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Formula:
C21H21NO3S
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Chemical Name:
2-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanylbenzoic acid
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Synonyms:
2-{[2-oxo-3-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)propyl]sulfanyl}benzoic acid;721406-44-6;ZINC4801705;EN300-04168;2-({2-oxo-3-[(2Z)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]propyl}sulfanyl)benzoic acid
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CAS No:
2-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanylbenzoic acid Basic Attributes
367.5 g/mol
367.12421471 g/mol
Computed Properties
Molecular Weight:367.5
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:367.12421471
Monoisotopic Mass:367.12421471
Topological Polar Surface Area:82.9
Heavy Atom Count:26
Complexity:586
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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