Name: Name:2-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]acetic acid
Brand: Angene
SKU: AG019WFE
Rating: 90 (10 reviews)

2-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]acetic acid

CAS No.:

1017423-18-5

Catalog Number:

AG019WFE

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

Catalog Number:

AG019WFE

Chemical Name:

2-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]acetic acid

CAS Number:

1017423-18-5

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

MDL Number:

MFCD10003257

IUPAC Name:

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetic acid

InChI:

InChI=1S/C12H13N3O2/c1-8-3-5-10(6-4-8)15-9(2)11(13-14-15)7-12(16)17/h3-6H,7H2,1-2H3,(H,16,17)

InChI Key:

CMXKUAOBCUZCOQ-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1nnn(c1C)c1ccc(cc1)C

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.255g/mol

Monoisotopic Mass:

231.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6