Name: Name:1-[(4-methoxyphenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01BCOX
Rating: 90 (10 reviews)

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

CAS No.:

1267866-44-3

Catalog Number:

AG01BCOX

Molecular Formula:

C12H13N3O3

Molecular Weight:

247.2499

Catalog Number:

AG01BCOX

Chemical Name:

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

CAS Number:

1267866-44-3

Molecular Formula:

C12H13N3O3

Molecular Weight:

247.2499

MDL Number:

MFCD19108052

IUPAC Name:

1-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C12H13N3O3/c1-8-11(12(16)17)13-14-15(8)7-9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H,16,17)

InChI Key:

FKTIKNUZLFXZLG-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)Cn1nnc(c1C)C(=O)O

Complexity:

292

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.254g/mol

Monoisotopic Mass:

247.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5