Name: Name:1-(3-methylbutyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01AKAQ
Rating: 90 (10 reviews)

1-(3-methylbutyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1267129-21-4

Catalog Number:

AG01AKAQ

Molecular Formula:

C8H13N3O2

Molecular Weight:

183.2077

Catalog Number:

AG01AKAQ

Chemical Name:

1-(3-methylbutyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1267129-21-4

Molecular Formula:

C8H13N3O2

Molecular Weight:

183.2077

MDL Number:

MFCD16666454

IUPAC Name:

1-(3-methylbutyl)triazole-4-carboxylic acid

InChI:

InChI=1S/C8H13N3O2/c1-6(2)3-4-11-5-7(8(12)13)9-10-11/h5-6H,3-4H2,1-2H3,(H,12,13)

InChI Key:

LAFNDYUABHITNU-UHFFFAOYSA-N

SMILES:

CC(CCn1nnc(c1)C(=O)O)C

Complexity:

184

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

183.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

183.211g/mol

Monoisotopic Mass:

183.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2