3,4-DIHYDROXY-3-METHYL-4-PHENYL-1-BUTYNE

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NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C11H12O2
Molecular Weight	176.2118
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-DIHYDROXY-3-METHYL-4-PHENYL-1-BUTYNE

Structure Search

SMILES

CC(O)(C#C)C(O)C1=CC=CC=C1

InChI

InChIKey=GQOXDWHRXDPZJK-UHFFFAOYSA-N

InChI=1S/C11H12O2/c1-3-11(2,13)10(12)9-7-5-4-6-8-9/h1,4-8,10,12-13H,2H3

HIDE SMILES / InChI

Molecular Formula	C11H12O2
Molecular Weight	176.2118
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:04:20 UTC 2023` Edited by `admin` on `Fri Dec 15 15:04:20 UTC 2023`
Record UNII	3N20VGJ39Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4-DIHYDROXY-3-METHYL-4-PHENYL-1-BUTYNE

Systematic Name

English

3-BUTYNE-1,2-DIOL, 2-METHYL-1-PHENYL-

Systematic Name

English

3-METHYL-3,4-DIHYDROXY-4-PHENYL-1-BUTYNE

Systematic Name

English

2-METHYL-1-PHENYL-3-BUTYNE-1,2-DIOL

Systematic Name

English

3,4-dihydroxy-3-methyl-4-phenyl-1-butyne [WHO-DD]

Common Name

English

Code System Code Type Description

PUBCHEM

16252

Created by admin on Fri Dec 15 15:04:20 UTC 2023 , Edited by admin on Fri Dec 15 15:04:20 UTC 2023

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CAS

2033-94-5

Created by admin on Fri Dec 15 15:04:20 UTC 2023 , Edited by admin on Fri Dec 15 15:04:20 UTC 2023

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EPA CompTox

DTXSID50942486

Created by admin on Fri Dec 15 15:04:20 UTC 2023 , Edited by admin on Fri Dec 15 15:04:20 UTC 2023

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FDA UNII

3N20VGJ39Y

Created by admin on Fri Dec 15 15:04:20 UTC 2023 , Edited by admin on Fri Dec 15 15:04:20 UTC 2023

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WIKIPEDIA

Centalun

Created by admin on Fri Dec 15 15:04:20 UTC 2023 , Edited by admin on Fri Dec 15 15:04:20 UTC 2023

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