5-METHYLMELLEIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H12O3
Molecular Weight	192.2112
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1CC2=C(C)C=CC(O)=C2C(=O)O1

InChI

InChIKey=YETSBBYQOFXYGV-SSDOTTSWSA-N

InChI=1S/C11H12O3/c1-6-3-4-9(12)10-8(6)5-7(2)14-11(10)13/h3-4,7,12H,5H2,1-2H3/t7-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C11H12O3
Molecular Weight	192.2112
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:16:08 GMT 2025` Edited by `admin` on `Mon Mar 31 23:16:08 GMT 2025`
Record UNII	461BW4X8WN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-METHYLMELLEIN

Common Name

English

(-)-5-METHYLMELLEIN

Preferred Name

English

MELLEIN, 5-METHYL-

Common Name

English

(3R)-5-METHYLMELLEIN

Common Name

English

ISOCOUMARIN, 3,4-DIHYDRO-8-HYDROXY-3,5-DIMETHYL-, (R)-

Systematic Name

English

1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-8-HYDROXY-3,5-DIMETHYL-, (3R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

461BW4X8WN

Created by admin on Mon Mar 31 23:16:08 GMT 2025 , Edited by admin on Mon Mar 31 23:16:08 GMT 2025

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EPA CompTox

DTXSID50564248

Created by admin on Mon Mar 31 23:16:08 GMT 2025 , Edited by admin on Mon Mar 31 23:16:08 GMT 2025

PRIMARY

CAS

7734-92-1

Created by admin on Mon Mar 31 23:16:08 GMT 2025 , Edited by admin on Mon Mar 31 23:16:08 GMT 2025

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PUBCHEM

14807789

Created by admin on Mon Mar 31 23:16:08 GMT 2025 , Edited by admin on Mon Mar 31 23:16:08 GMT 2025

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