5-(3-hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H12O3
Molecular Weight	168.1898
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-(3-hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one

Structure Search

SMILES

CC1(C)OC(=CC1=O)C(=C)CO

InChI

InChIKey=OJMFTZQFNWZUCT-UHFFFAOYSA-N

InChI=1S/C9H12O3/c1-6(5-10)7-4-8(11)9(2,3)12-7/h4,10H,1,5H2,2-3H3

HIDE SMILES / InChI

Molecular Formula	C9H12O3
Molecular Weight	168.1898
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 `Wed Apr 02 12:21:37 GMT 2025` Edited by `admin` on `Wed Apr 02 12:21:37 GMT 2025`
Record UNII	7E95J2Z4M9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-309688

Preferred Name

English

5-(3-hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one

Systematic Name

English

5-(1-(HYDROXYMETHYL)ETHENYL)-2,2-DIMETHYL-3(2H)-FURANONE

Systematic Name

English

3(2H)-FURANONE, 5-(1-(HYDROXYMETHYL)ETHENYL)-2,2-DIMETHYL-

Systematic Name

English

Code System Code Type Description

NSC

309688

Created by admin on Wed Apr 02 12:21:37 GMT 2025 , Edited by admin on Wed Apr 02 12:21:37 GMT 2025

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CAS

76777-59-8

Created by admin on Wed Apr 02 12:21:37 GMT 2025 , Edited by admin on Wed Apr 02 12:21:37 GMT 2025

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FDA UNII

7E95J2Z4M9

Created by admin on Wed Apr 02 12:21:37 GMT 2025 , Edited by admin on Wed Apr 02 12:21:37 GMT 2025

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EPA CompTox

DTXSID30316964

Created by admin on Wed Apr 02 12:21:37 GMT 2025 , Edited by admin on Wed Apr 02 12:21:37 GMT 2025

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PUBCHEM

328855

Created by admin on Wed Apr 02 12:21:37 GMT 2025 , Edited by admin on Wed Apr 02 12:21:37 GMT 2025

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