3-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
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![3-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4724d008fdb5421786b89a64e8fcdf2d.png "3-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid")
3-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
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CAS No:
859858-49-4
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Formula:
C22H25NO6
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Chemical Name:
3-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
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Synonyms:
N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-beta-alanine;ZINC2114617;EiM07-20371;STL462769;AKOS016378941;MCULE-5073975904;859858-49-4
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CAS No:
3-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid Basic Attributes
399.4 g/mol
399.16818752 g/mol
Computed Properties
Molecular Weight:399.4
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:399.16818752
Monoisotopic Mass:399.16818752
Topological Polar Surface Area:106
Heavy Atom Count:29
Complexity:707
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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