Name: Name:1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-(4-methylphenyl)-
Brand: Angene
SKU: AG002KLR
Rating: 90 (10 reviews)

1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-(4-methylphenyl)-

CAS No.:

210159-05-0

Catalog Number:

AG002KLR

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

Catalog Number:

AG002KLR

Chemical Name:

1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-(4-methylphenyl)-

CAS Number:

210159-05-0

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

MDL Number:

MFCD09035308

IUPAC Name:

5-methyl-1-(4-methylphenyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C11H11N3O2/c1-7-3-5-9(6-4-7)14-8(2)10(11(15)16)12-13-14/h3-6H,1-2H3,(H,15,16)

InChI Key:

NREIBQOWBHBDHC-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1C)c1ccc(cc1)C

Complexity:

264

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.228g/mol

Monoisotopic Mass:

217.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: