Name: Name:1-methyl-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid
Brand: Angene
SKU: AG01BCAP
Rating: 90 (10 reviews)

1-methyl-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid

CAS No.:

1496734-87-2

Catalog Number:

AG01BCAP

Molecular Formula:

C8H11N3O2

Molecular Weight:

181.1918

Catalog Number:

AG01BCAP

Chemical Name:

1-methyl-4,5,6,7-tetrahydro-1H-1,2,3-benzotriazole-6-carboxylic acid

CAS Number:

1496734-87-2

Molecular Formula:

C8H11N3O2

Molecular Weight:

181.1918

MDL Number:

MFCD28714762

IUPAC Name:

3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxylic acid

InChI:

InChI=1S/C8H11N3O2/c1-11-7-4-5(8(12)13)2-3-6(7)9-10-11/h5H,2-4H2,1H3,(H,12,13)

InChI Key:

KSSGMJJRJZLREA-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCc2c(C1)n(C)nn2

Complexity:

221

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.195g/mol

Monoisotopic Mass:

181.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1