(1S,2R,3S)-1-(1,3-Benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-2,3-dihydro-5-propoxy-1H-indene-2-carboxylic acid
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![(1S,2R,3S)-1-(1,3-Benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-2,3-dihydro-5-propoxy-1H-indene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0f72869e6ef4471da3d2532a0c3b32ea.png "(1S,2R,3S)-1-(1,3-Benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-2,3-dihydro-5-propoxy-1H-indene-2-carboxylic acid")
(1S,2R,3S)-1-(1,3-Benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-2,3-dihydro-5-propoxy-1H-indene-2-carboxylic acid
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CAS No:
157659-79-5
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Formula:
C29H28O9
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Chemical Name:
(1S,2R,3S)-1-(1,3-Benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-2,3-dihydro-5-propoxy-1H-indene-2-carboxylic acid
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Synonyms:
1H-Indene-2-carboxylic acid,1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-2,3-dihydro-5-propoxy-,(1S,2R,3S)-;1H-Indene-2-carboxylic acid,1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-2,3-dihydro-5-propoxy-,[1S-(1α,2β,3α)]-;(1S,2R,3S)-1-(1,3-Benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-2,3-dihydro-5-propoxy-1H-indene-2-carboxylic acid;SB 209670;SKB 209670;1200682-61-6
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CAS No:
(1S,2R,3S)-1-(1,3-Benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-2,3-dihydro-5-propoxy-1H-indene-2-carboxylic acid Basic Attributes
520.5 g/mol
520.53
0I32BCL40Z
Drug Information
1H-Indene-2-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-3-(2- (carboxymethoxy)-4-methoxyphenyl)-2,3-dihydro-5-propoxy-, (1S,2R,3S)-
Computed Properties
Molecular Weight:520.5
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:520.17333247
Monoisotopic Mass:520.17333247
Topological Polar Surface Area:121
Heavy Atom Count:38
Complexity:820
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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