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7-butoxychromen-2-one

7-butoxychromen-2-one structure

CAS No:
71783-00-1
Formula:
C13H14O3
Chemical Name:
7-butoxychromen-2-one
Synonyms:
7-butoxy-2H-chromen-2-one;7-butoxychromen-2-one;7-BUTOXYCOUMARIN;2H-1-Benzopyran-2-one, 7-butoxy-;CHEMBL571514;71783-00-1;CBMicro_045472;UNII-745KX6V3FG;745KX6V3FG;SCHEMBL6686295;DTXSID40221994;ZINC2950199;BDBM50303502;STK371317;AKOS001064182;MCULE-1530014848;BIM-0045671.P001;ST50462808;SR-01000227430;SR-01000227430-1

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7-butoxychromen-2-one Basic Attributes

Molecular Weight：

218.25 g/mol

Exact Mass：

218.094294304 g/mol

UNII：

745KX6V3FG

DSSTox ID：

DTXSID40221994

Characteristics

PSA：

35.5 Å²

Drug Information

Metabolism/Metabolites：

7-butoxy-2h-chromen-2-one has known human metabolites that include 7-(1-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol, 7-(3-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol, and 7-(4-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol.

Computed Properties

Molecular Weight:218.25
XLogP3:3.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:218.094294304
Monoisotopic Mass:218.094294304
Topological Polar Surface Area:35.5
Heavy Atom Count:16
Complexity:272
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: norephedrine; retratutide; so3 sulfur trioxide; magnesium acetate; urea formula; 2-methyl-2-butene

Guide of 7-butoxychromen-2-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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