Name: Name:1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AH1P
Rating: 90 (10 reviews)

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1097017-99-6

Catalog Number:

AG01AH1P

Molecular Formula:

C12H11N3O4

Molecular Weight:

261.2334

Catalog Number:

AG01AH1P

Chemical Name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1097017-99-6

Molecular Formula:

C12H11N3O4

Molecular Weight:

261.2334

MDL Number:

MFCD12540701

IUPAC Name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazole-4-carboxylic acid

InChI:

InChI=1S/C12H11N3O4/c1-7-11(12(16)17)13-14-15(7)8-2-3-9-10(6-8)19-5-4-18-9/h2-3,6H,4-5H2,1H3,(H,16,17)

InChI Key:

SPUKSOAJZKGHPL-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnn(c1C)c1ccc2c(c1)OCCO2

Complexity:

354

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.237g/mol

Monoisotopic Mass:

261.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3