Name: Name:1-(3-cyanopropyl)-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG01A38O
Rating: 90 (10 reviews)

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

CAS No.:

1423029-43-9

Catalog Number:

AG01A38O

Molecular Formula:

C7H8N4O2

Molecular Weight:

180.1640

Catalog Number:

AG01A38O

Chemical Name:

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

CAS Number:

1423029-43-9

Molecular Formula:

C7H8N4O2

Molecular Weight:

180.1640

MDL Number:

MFCD22741211

IUPAC Name:

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

InChI:

InChI=1S/C7H8N4O2/c8-3-1-2-4-11-5-6(7(12)13)9-10-11/h5H,1-2,4H2,(H,12,13)

InChI Key:

ZLPOSUFVPIZAPV-UHFFFAOYSA-N

SMILES:

OC(=O)c1cn(nn1)CCCC#N

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.167g/mol

Monoisotopic Mass:

180.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5