Name: Name:4-(dimethyl-1H-1,2,4-triazol-1-yl)butanoic acid
Brand: Angene
SKU: AG01AUDM
Rating: 90 (10 reviews)

4-(dimethyl-1H-1,2,4-triazol-1-yl)butanoic acid

CAS No.:

1249380-28-6

Catalog Number:

AG01AUDM

Molecular Formula:

C8H13N3O2

Molecular Weight:

183.2077

Catalog Number:

AG01AUDM

Chemical Name:

4-(dimethyl-1H-1,2,4-triazol-1-yl)butanoic acid

CAS Number:

1249380-28-6

Molecular Formula:

C8H13N3O2

Molecular Weight:

183.2077

MDL Number:

MFCD14624820

IUPAC Name:

4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoic acid

InChI:

InChI=1S/C8H13N3O2/c1-6-9-7(2)11(10-6)5-3-4-8(12)13/h3-5H2,1-2H3,(H,12,13)

InChI Key:

KMMCTAGIRAPXKQ-UHFFFAOYSA-N

SMILES:

Cc1nc(nn1CCCC(=O)O)C

Complexity:

186

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:

0.6