Name: Name:(2E)-4-(1H-1,2,4-triazol-1-yl)but-2-enoic acid hydrochloride, E
Brand: Angene
SKU: AG01B6JM
Rating: 90 (10 reviews)

(2E)-4-(1H-1,2,4-triazol-1-yl)but-2-enoic acid hydrochloride, E

CAS No.:

1989683-20-6

Catalog Number:

AG01B6JM

Molecular Formula:

C6H8ClN3O2

Molecular Weight:

189.5996

Catalog Number:

AG01B6JM

Chemical Name:

(2E)-4-(1H-1,2,4-triazol-1-yl)but-2-enoic acid hydrochloride, E

CAS Number:

1989683-20-6

Molecular Formula:

C6H8ClN3O2

Molecular Weight:

189.5996

MDL Number:

MFCD30342858

IUPAC Name:

4-(1,2,4-triazol-1-yl)but-2-enoic acid;hydrochloride

InChI:

InChI=1S/C6H7N3O2.ClH/c10-6(11)2-1-3-9-5-7-4-8-9;/h1-2,4-5H,3H2,(H,10,11);1H

InChI Key:

KCPQSDOBPGOJGT-UHFFFAOYSA-N

SMILES:

OC(=O)/C=C/Cn1cncn1.Cl

Complexity:

169

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

189.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.599g/mol

Monoisotopic Mass:

189.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: