Name: Name:3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid
Brand: Angene
SKU: AG019M74
Rating: 90 (10 reviews)

3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid

CAS No.:

926272-05-1

Catalog Number:

AG019M74

Molecular Formula:

C9H8N4O2

Molecular Weight:

204.1854

Catalog Number:

AG019M74

Chemical Name:

3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid

CAS Number:

926272-05-1

Molecular Formula:

C9H8N4O2

Molecular Weight:

204.1854

MDL Number:

MFCD09047925

IUPAC Name:

3-methyl-4-(tetrazol-1-yl)benzoic acid

InChI:

InChI=1S/C9H8N4O2/c1-6-4-7(9(14)15)2-3-8(6)13-5-10-11-12-13/h2-5H,1H3,(H,14,15)

InChI Key:

FFMBKMDEUZTVCN-UHFFFAOYSA-N

SMILES:

Cc1cc(ccc1n1cnnn1)C(=O)O

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.189g/mol

Monoisotopic Mass:

204.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1