Name: Name:5-methyl-1-[4-(propan-2-yloxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AGXM
Rating: 90 (10 reviews)

5-methyl-1-[4-(propan-2-yloxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1094373-33-7

Catalog Number:

AG01AGXM

Molecular Formula:

C13H15N3O3

Molecular Weight:

261.2765

Catalog Number:

AG01AGXM

Chemical Name:

5-methyl-1-[4-(propan-2-yloxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1094373-33-7

Molecular Formula:

C13H15N3O3

Molecular Weight:

261.2765

MDL Number:

MFCD12739199

IUPAC Name:

5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C13H15N3O3/c1-8(2)19-11-6-4-10(5-7-11)16-9(3)12(13(17)18)14-15-16/h4-8H,1-3H3,(H,17,18)

InChI Key:

WZGFDGKKMZQMIB-UHFFFAOYSA-N

SMILES:

CC(Oc1ccc(cc1)n1nnc(c1C)C(=O)O)C

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.281g/mol

Monoisotopic Mass:

261.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4