Name: Name:1-(prop-2-en-1-yl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01C4VV
Rating: 90 (10 reviews)

1-(prop-2-en-1-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1012081-60-5

Catalog Number:

AG01C4VV

Molecular Formula:

C6H7N3O2

Molecular Weight:

153.1387

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Product Description

Catalog Number:

AG01C4VV

Chemical Name:

1-(prop-2-en-1-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1012081-60-5

Molecular Formula:

C6H7N3O2

Molecular Weight:

153.1387

MDL Number:

MFCD19270794

IUPAC Name:

1-prop-2-enyltriazole-4-carboxylic acid

InChI:

InChI=1S/C6H7N3O2/c1-2-3-9-4-5(6(10)11)7-8-9/h2,4H,1,3H2,(H,10,11)

InChI Key:

QACGJWPGZYTCSY-UHFFFAOYSA-N

SMILES:

OC(=O)c1cn(nn1)CC=C

Properties

Complexity:

171

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

153.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

153.141g/mol

Monoisotopic Mass:

153.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Synthesis and antibiotic activity of a small molecules library of 1,2,3-triazole derivatives.	Bioorganic & medicinal chemistry letters 20080201