Name: Name:2-[4-(2-methoxyphenyl)-1H-1,2,3-triazol-1-yl]-2-methylpropanoic acid
Brand: Angene
SKU: AG01EKR1
Rating: 90 (10 reviews)

2-[4-(2-methoxyphenyl)-1H-1,2,3-triazol-1-yl]-2-methylpropanoic acid

CAS No.:

2138531-35-6

Catalog Number:

AG01EKR1

Molecular Formula:

C13H15N3O3

Molecular Weight:

261.2765

Catalog Number:

AG01EKR1

Chemical Name:

2-[4-(2-methoxyphenyl)-1H-1,2,3-triazol-1-yl]-2-methylpropanoic acid

CAS Number:

2138531-35-6

Molecular Formula:

C13H15N3O3

Molecular Weight:

261.2765

IUPAC Name:

2-[4-(2-methoxyphenyl)triazol-1-yl]-2-methylpropanoic acid

InChI:

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

InChI Key:

RAQDHGRPKNGJPG-UHFFFAOYSA-N

SMILES:

COc1ccccc1c1nnn(c1)C(C(=O)O)(C)C

Complexity:

335

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:

1.6