Name: Name:1-tert-butyl-1H-1,2,4-triazole-3-carboxylic acid
Brand: Angene
SKU: AG01BBG8
Rating: 90 (10 reviews)

1-tert-butyl-1H-1,2,4-triazole-3-carboxylic acid

CAS No.:

1803599-66-7

Catalog Number:

AG01BBG8

Molecular Formula:

C7H11N3O2

Molecular Weight:

169.1811

Catalog Number:

AG01BBG8

Chemical Name:

1-tert-butyl-1H-1,2,4-triazole-3-carboxylic acid

CAS Number:

1803599-66-7

Molecular Formula:

C7H11N3O2

Molecular Weight:

169.1811

MDL Number:

MFCD28954078

IUPAC Name:

1-tert-butyl-1,2,4-triazole-3-carboxylic acid

InChI:

InChI=1S/C7H11N3O2/c1-7(2,3)10-4-8-5(9-10)6(11)12/h4H,1-3H3,(H,11,12)

InChI Key:

NMDNBGLZSZSXEI-UHFFFAOYSA-N

SMILES:

OC(=O)c1ncn(n1)C(C)(C)C

Complexity:

188

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.184g/mol

Monoisotopic Mass:

169.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8