Name: Name:1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-methoxyphenyl)-5-methyl-
Brand: Angene
SKU: AG00I60V
Rating: 90 (10 reviews)

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

CAS No.:

31802-54-7

Catalog Number:

AG00I60V

Molecular Formula:

C11H11N3O3

Molecular Weight:

233.2233

Catalog Number:

AG00I60V

Chemical Name:

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

CAS Number:

31802-54-7

Molecular Formula:

C11H11N3O3

Molecular Weight:

233.2233

MDL Number:

MFCD01566093

IUPAC Name:

1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C11H11N3O3/c1-7-10(11(15)16)12-13-14(7)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H,15,16)

InChI Key:

IYWFMFVCWDZXMJ-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)n1nnc(c1C)C(=O)O

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.227g/mol

Monoisotopic Mass:

233.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6