667-COUMARIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H14O3
Molecular Weight	230.2592
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC=C2C(OC(=O)C3=C2CCCCC3)=C1

InChI

InChIKey=XWZHCDCMXBLZFJ-UHFFFAOYSA-N

InChI=1S/C14H14O3/c15-9-6-7-11-10-4-2-1-3-5-12(10)14(16)17-13(11)8-9/h6-8,15H,1-5H2

HIDE SMILES / InChI

Molecular Formula	C14H14O3
Molecular Weight	230.2592
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 15:40:38 UTC 2023` Edited by `admin` on `Sat Dec 16 15:40:38 UTC 2023`
Record UNII	X563HX34EA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

667-COUMARIN

Common Name

English

BENZO(B)CYCLOHEPTA(D)PYRAN-6(7H)-ONE, 8,9,10,11-TETRAHYDRO-3-HYDROXY-

Systematic Name

English

8,9,10,11-TETRAHYDRO-3-HYDROXYBENZO(B)CYCLOHEPTA(D)PYRAN-6(7H)-ONE 3-HYDROXY-6,7,8,9,10,11-HEXAHYDROCYCLOHEPTA(C)CHROMEN-6-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

X563HX34EA

Created by admin on Sat Dec 16 15:40:38 UTC 2023 , Edited by admin on Sat Dec 16 15:40:38 UTC 2023

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PUBCHEM

5415867

Created by admin on Sat Dec 16 15:40:38 UTC 2023 , Edited by admin on Sat Dec 16 15:40:38 UTC 2023

PRIMARY

CAS

83688-44-2

Created by admin on Sat Dec 16 15:40:38 UTC 2023 , Edited by admin on Sat Dec 16 15:40:38 UTC 2023

PRIMARY

EPA CompTox

DTXSID00419951

Created by admin on Sat Dec 16 15:40:38 UTC 2023 , Edited by admin on Sat Dec 16 15:40:38 UTC 2023

PRIMARY

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IN VITRO

Amount: