Name: Name:Methyl 1-(but-3-yn-1-yl)-1h-1,2,3-triazole-4-carboxylate
Brand: Angene
SKU: AG00I1JG
Rating: 90 (10 reviews)

Methyl 1-(but-3-yn-1-yl)-1h-1,2,3-triazole-4-carboxylate

CAS No.:

1851931-98-0

Catalog Number:

AG00I1JG

Molecular Formula:

C8H9N3O2

Molecular Weight:

179.1760

Catalog Number:

AG00I1JG

Chemical Name:

Methyl 1-(but-3-yn-1-yl)-1h-1,2,3-triazole-4-carboxylate

CAS Number:

1851931-98-0

Molecular Formula:

C8H9N3O2

Molecular Weight:

179.1760

MDL Number:

MFCD29059369

IUPAC Name:

methyl 1-but-3-ynyltriazole-4-carboxylate

InChI:

InChI=1S/C8H9N3O2/c1-3-4-5-11-6-7(9-10-11)8(12)13-2/h1,6H,4-5H2,2H3

InChI Key:

CHJJXHRSOVKEHA-UHFFFAOYSA-N

SMILES:

COC(=O)c1cn(nn1)CCC#C

Complexity:

233

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.179g/mol

Monoisotopic Mass:

179.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4