.ALPHA.-ISOSAFROLE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H10O2
Molecular Weight	162.1852
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of .ALPHA.-ISOSAFROLE

Structure Search

SMILES

C\C=C/C1=CC2=C(OCO2)C=C1

InChI

InChIKey=VHVOLFRBFDOUSH-IHWYPQMZSA-N

InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2-

HIDE SMILES / InChI

Molecular Formula	C10H10O2
Molecular Weight	162.1852
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:32:22 UTC 2023` Edited by `admin` on `Sat Dec 16 10:32:22 UTC 2023`
Record UNII	253QUA24R1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

.ALPHA.-ISOSAFROLE

Common Name

English

1,3-BENZODIOXOLE, 5-(1Z)-1-PROPEN-1-YL-

Systematic Name

English

(Z)-ISOSAFROLE

Systematic Name

English

5-((1Z)-1-PROPENYL)-1,3-BENZODIOXOLE

Systematic Name

English

ISOSAFROLE CIS-FORM [MI]

Common Name

English

ISOSAFROLE, CIS-

Systematic Name

English

CIS-ISOSAFROLE

Systematic Name

English

Classification Tree Code System Code

DEA NO.

8704

Created by admin on Sat Dec 16 10:32:22 UTC 2023 , Edited by admin on Sat Dec 16 10:32:22 UTC 2023

Code System Code Type Description

ECHA (EC/EINECS)

241-611-4

Created by admin on Sat Dec 16 10:32:22 UTC 2023 , Edited by admin on Sat Dec 16 10:32:22 UTC 2023

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CAS

17627-76-8

Created by admin on Sat Dec 16 10:32:22 UTC 2023 , Edited by admin on Sat Dec 16 10:32:22 UTC 2023

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MERCK INDEX

m6539

Created by admin on Sat Dec 16 10:32:22 UTC 2023 , Edited by admin on Sat Dec 16 10:32:22 UTC 2023

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Merck Index

EPA CompTox

DTXSID001037113

Created by admin on Sat Dec 16 10:32:22 UTC 2023 , Edited by admin on Sat Dec 16 10:32:22 UTC 2023

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PUBCHEM

1549044

Created by admin on Sat Dec 16 10:32:22 UTC 2023 , Edited by admin on Sat Dec 16 10:32:22 UTC 2023

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FDA UNII

253QUA24R1

Created by admin on Sat Dec 16 10:32:22 UTC 2023 , Edited by admin on Sat Dec 16 10:32:22 UTC 2023

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