Name: Name:2-(3,5-dimethylphenyl)-2H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01A5XJ
Rating: 90 (10 reviews)

2-(3,5-dimethylphenyl)-2H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1250728-47-2

Catalog Number:

AG01A5XJ

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

Catalog Number:

AG01A5XJ

Chemical Name:

2-(3,5-dimethylphenyl)-2H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1250728-47-2

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

MDL Number:

MFCD16727432

IUPAC Name:

2-(3,5-dimethylphenyl)triazole-4-carboxylic acid

InChI:

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

InChI Key:

OEANOGVVKXTJBZ-UHFFFAOYSA-N

SMILES:

Cc1cc(C)cc(c1)n1ncc(n1)C(=O)O

Complexity:

262

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:

2.5