Name: Name:1-(4-methylphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG019V5R
Rating: 90 (10 reviews)

1-(4-methylphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1017399-09-5

Catalog Number:

AG019V5R

Molecular Formula:

C13H15N3O2

Molecular Weight:

245.2771

Catalog Number:

AG019V5R

Chemical Name:

1-(4-methylphenyl)-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1017399-09-5

Molecular Formula:

C13H15N3O2

Molecular Weight:

245.2771

MDL Number:

MFCD10003277

IUPAC Name:

1-(4-methylphenyl)-5-propan-2-yltriazole-4-carboxylic acid

InChI:

InChI=1S/C13H15N3O2/c1-8(2)12-11(13(17)18)14-15-16(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H,17,18)

InChI Key:

INYMNQBAEUVHNX-UHFFFAOYSA-N

SMILES:

CC(c1c(nnn1c1ccc(cc1)C)C(=O)O)C

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.282g/mol

Monoisotopic Mass:

245.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7