Name: Name:methyl 1-(3-cyanopropyl)-1H-1,2,3-triazole-4-carboxylate
Brand: Angene
SKU: AG01A32B
Rating: 90 (10 reviews)

methyl 1-(3-cyanopropyl)-1H-1,2,3-triazole-4-carboxylate

CAS No.:

1423033-21-9

Catalog Number:

AG01A32B

Molecular Formula:

C8H10N4O2

Molecular Weight:

194.1906

Catalog Number:

AG01A32B

Chemical Name:

methyl 1-(3-cyanopropyl)-1H-1,2,3-triazole-4-carboxylate

CAS Number:

1423033-21-9

Molecular Formula:

C8H10N4O2

Molecular Weight:

194.1906

MDL Number:

MFCD22628468

IUPAC Name:

methyl 1-(3-cyanopropyl)triazole-4-carboxylate

InChI:

InChI=1S/C8H10N4O2/c1-14-8(13)7-6-12(11-10-7)5-3-2-4-9/h6H,2-3,5H2,1H3

InChI Key:

BBHROVVIRDUHCM-UHFFFAOYSA-N

SMILES:

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

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.194g/mol

Monoisotopic Mass:

194.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1