BUTYRYL 4-METHYLUMBELLIFERONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H14O4
Molecular Weight	246.2586
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTYRYL 4-METHYLUMBELLIFERONE

Structure Search

SMILES

CCCC(=O)OC1=CC2=C(C=C1)C(C)=CC(=O)O2

InChI

InChIKey=WKPUJZVCZXWKCK-UHFFFAOYSA-N

InChI=1S/C14H14O4/c1-3-4-13(15)17-10-5-6-11-9(2)7-14(16)18-12(11)8-10/h5-8H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C14H14O4
Molecular Weight	246.2586
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:34:21 GMT 2023` Edited by `admin` on `Sat Dec 16 12:34:21 GMT 2023`
Record UNII	THY0NZ2Z72
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BUTYRYL 4-METHYLUMBELLIFERONE

Systematic Name

English

NSC-152103

Code

English

BUTYRIC ACID, ESTER WITH 7-HYDROXY-4-METHYLCOUMARIN

Systematic Name

English

BUTYRIC ACID 4-METHYL-2-OXO-2H-CHROMEN-7-YL ESTER

Systematic Name

English

4-METHYLUMBELLIFERONE BUTYRATE

Systematic Name

English

BUTANOIC ACID, 4-METHYL-2-OXO-2H-1-BENZOPYRAN-7-YL ESTER

Common Name

English

COUMARIN, 7-HYDROXY-4-METHYL-, BUTYRATE

Systematic Name

English

NSC-688808

Code

English

Code System Code Type Description

CHEBI

91120

Created by admin on Sat Dec 16 12:34:21 GMT 2023 , Edited by admin on Sat Dec 16 12:34:21 GMT 2023

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CAS

17695-46-4

Created by admin on Sat Dec 16 12:34:21 GMT 2023 , Edited by admin on Sat Dec 16 12:34:21 GMT 2023

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NSC

152103

Created by admin on Sat Dec 16 12:34:21 GMT 2023 , Edited by admin on Sat Dec 16 12:34:21 GMT 2023

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NSC

688808

Created by admin on Sat Dec 16 12:34:21 GMT 2023 , Edited by admin on Sat Dec 16 12:34:21 GMT 2023

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EPA CompTox

DTXSID0066246

Created by admin on Sat Dec 16 12:34:21 GMT 2023 , Edited by admin on Sat Dec 16 12:34:21 GMT 2023

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PUBCHEM

87247

Created by admin on Sat Dec 16 12:34:21 GMT 2023 , Edited by admin on Sat Dec 16 12:34:21 GMT 2023

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FDA UNII

THY0NZ2Z72

Created by admin on Sat Dec 16 12:34:21 GMT 2023 , Edited by admin on Sat Dec 16 12:34:21 GMT 2023

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ECHA (EC/EINECS)

241-694-7

Created by admin on Sat Dec 16 12:34:21 GMT 2023 , Edited by admin on Sat Dec 16 12:34:21 GMT 2023

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