ISOEUGENYL ISOBUTYRATE, (E)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H18O3
Molecular Weight	234.2909
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ISOEUGENYL ISOBUTYRATE, (E)-

Structure Search

SMILES

COC1=CC(=CC=C1OC(=O)C(C)C)\C=C\C

InChI

InChIKey=HEOQGBRLGAJSLZ-AATRIKPKSA-N

InChI=1S/C14H18O3/c1-5-6-11-7-8-12(13(9-11)16-4)17-14(15)10(2)3/h5-10H,1-4H3/b6-5+

HIDE SMILES / InChI

Molecular Formula	C14H18O3
Molecular Weight	234.2909
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 05:44:29 UTC 2023` Edited by `admin` on `Sat Dec 16 05:44:29 UTC 2023`
Record UNII	L921JM40LR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOEUGENYL ISOBUTYRATE, (E)-

Common Name

English

PROPANOIC ACID, 2-METHYL-, 2-METHOXY-4-(1-PROPENYL)PHENYL ESTER, (E)-

Common Name

English

PROPANOIC ACID, 2-METHYL-, 2-METHOXY-4-(1-PROPENYL)PHENYL ESTER

Common Name

English

(E)-2-METHOXY-4-PROP-1-ENYL PHENYL ISOBUTYRATE

Common Name

English

PROPANOIC ACID, 2-METHYL-, 2-METHOXY-4-(1-PROPEN-1-YL)PHENYL ESTER

Common Name

English

ISOBUTYRIC ACID (E)-2-METHOXY-4-(1-PROPENYL)PHENYL ESTER

Systematic Name

English

ISOEUGENOL ISOBUTYRATE

Systematic Name

English

Code System Code Type Description

CAS

137591-62-9

Created by admin on Sat Dec 16 05:44:30 UTC 2023 , Edited by admin on Sat Dec 16 05:44:30 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

L921JM40LR

Created by admin on Sat Dec 16 05:44:30 UTC 2023 , Edited by admin on Sat Dec 16 05:44:30 UTC 2023

PRIMARY

PUBCHEM

6429346

Created by admin on Sat Dec 16 05:44:30 UTC 2023 , Edited by admin on Sat Dec 16 05:44:30 UTC 2023

PRIMARY

EPA CompTox

DTXSID101157598

Created by admin on Sat Dec 16 05:44:30 UTC 2023 , Edited by admin on Sat Dec 16 05:44:30 UTC 2023

PRIMARY

ECHA (EC/EINECS)

283-332-0

Created by admin on Sat Dec 16 05:44:30 UTC 2023 , Edited by admin on Sat Dec 16 05:44:30 UTC 2023

PRIMARY

CAS

84604-51-3

Created by admin on Sat Dec 16 05:44:30 UTC 2023 , Edited by admin on Sat Dec 16 05:44:30 UTC 2023

PRIMARY

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Interaction Type:

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Amount: