Propargyl alcohol

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H4O
Molecular Weight	56.0633
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Propargyl alcohol

SMILES

OCC#C

InChI

InChIKey=TVDSBUOJIPERQY-UHFFFAOYSA-N

InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2

HIDE SMILES / InChI

Molecular Formula	C3H4O
Molecular Weight	56.0633
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

PubMed

Show entries

Title	Date	PubMed
Coupling-isomerization-coupling sequences switched on by propargyl alcohol-enone-isomerization.	2003	15068089
Localization of a substrate binding site on the FeMo-cofactor in nitrogenase: trapping propargyl alcohol with an alpha-70-substituted MoFe protein.	2003 Aug 5	12885243
Rhenium-catalyzed coupling of propargyl alcohols and allyl silanes.	2003 Dec 24	14677963
Clotrimazole, ketoconazole, and clodinafop-propargyl as potent growth inhibitors of equine Babesia parasites during in vitro culture.	2003 Jun	12880264
A Rh(I)-catalyzed cycloisomerization of homo- and bis-homopropargylic alcohols.	2003 Jun 25	12812465

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Substance Class	Chemical
Record UNII	E920VF499L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Propargyl alcohol

Systematic Name

English

NSC-8804

Preferred Name

English

PROPARGYL ALCOHOL [MI]

Common Name

English

PROPARGYL ALCOHOL [HSDB]

Common Name

English

Showing 1 to 4 of 4 entries

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Classification Tree

Code System

Code

EPA PESTICIDE

EPA PESTICIDE CODE

68702

Showing 1 to 1 of 1 entries

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Code System

Code

Type

Description

NSC

8804

PRIMARY

SMS_ID

300000053606

PRIMARY

CHEBI

28905

PRIMARY

CAS

107-19-7

PRIMARY

EPA CompTox

DTXSID5021883

PRIMARY

Showing 1 to 5 of 12 entries

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