2-(1,8-diethyl-4-oxo-9H-pyrano[3,4-b]indol-1-yl)acetic acid
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![2-(1,8-diethyl-4-oxo-9H-pyrano[3,4-b]indol-1-yl)acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f94fc1cc25874b2ead15316dab17359b.png "2-(1,8-diethyl-4-oxo-9H-pyrano[3,4-b]indol-1-yl)acetic acid")
2-(1,8-diethyl-4-oxo-9H-pyrano[3,4-b]indol-1-yl)acetic acid
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CAS No:
111478-86-5
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Formula:
C17H19NO4
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Chemical Name:
2-(1,8-diethyl-4-oxo-9H-pyrano[3,4-b]indol-1-yl)acetic acid
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Synonyms:
1,8-diethyl-1,3,4,9-tetrahydro-4-oxopyrano[3,4-b]indole-1-acetic acid; 4-Oxo Etodolac; Pyrano[3,4-b]indole-1-aceticacid,1,8-diethyl-1,3,4,9-tetrahydro-4-oxo; 1,8-diethyl-4-oxo-1,3,4,9-tetrahydropyrano[3,4-b]-indole-1-acetic acid;
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CAS No:
2-(1,8-diethyl-4-oxo-9H-pyrano[3,4-b]indol-1-yl)acetic acid Basic Attributes
301.33700
301.13140809
DTXSID50460650
Computed Properties
Molecular Weight:301.34
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:301.13140809
Monoisotopic Mass:301.13140809
Topological Polar Surface Area:79.4
Heavy Atom Count:22
Complexity:466
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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