Name: Name:1-(but-3-en-1-yl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01C3WA
Rating: 90 (10 reviews)

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

CAS No.:

1909313-01-4

Catalog Number:

AG01C3WA

Molecular Formula:

C7H9N3O2

Molecular Weight:

167.1653

Catalog Number:

AG01C3WA

Chemical Name:

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

CAS Number:

1909313-01-4

Molecular Formula:

C7H9N3O2

Molecular Weight:

167.1653

MDL Number:

MFCD29762903

IUPAC Name:

1-but-3-enyltriazole-4-carboxylic acid

InChI:

InChI=1S/C7H9N3O2/c1-2-3-4-10-5-6(7(11)12)8-9-10/h2,5H,1,3-4H2,(H,11,12)

InChI Key:

COECFTUPCXEQQH-UHFFFAOYSA-N

SMILES:

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

Complexity:

184

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.168g/mol

Monoisotopic Mass:

167.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6