Name: Name:5-cyclopropyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01A8CG
Rating: 90 (10 reviews)

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

CAS No.:

1017399-13-1

Catalog Number:

AG01A8CG

Molecular Formula:

C13H13N3O2

Molecular Weight:

243.2612

Catalog Number:

AG01A8CG

Chemical Name:

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

CAS Number:

1017399-13-1

Molecular Formula:

C13H13N3O2

Molecular Weight:

243.2612

MDL Number:

MFCD10003280

IUPAC Name:

5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C13H13N3O2/c1-8-2-6-10(7-3-8)16-12(9-4-5-9)11(13(17)18)14-15-16/h2-3,6-7,9H,4-5H2,1H3,(H,17,18)

InChI Key:

NWCQWSZPGGUHFP-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1C1CC1)c1ccc(cc1)C

Complexity:

324

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.266g/mol

Monoisotopic Mass:

243.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1