Name: Name:1-Butyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
Brand: Angene
SKU: AG00859Z
Rating: 90 (10 reviews)

1-Butyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid

CAS No.:

103854-71-3

Catalog Number:

AG00859Z

Molecular Formula:

C9H12N2O3

Molecular Weight:

196.2032

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Product Description

Catalog Number:

AG00859Z

Chemical Name:

1-Butyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid

CAS Number:

103854-71-3

Molecular Formula:

C9H12N2O3

Molecular Weight:

196.2032

MDL Number:

MFCD05263553

IUPAC Name:

1-butyl-6-oxopyridazine-3-carboxylic acid

InChI:

InChI=1S/C9H12N2O3/c1-2-3-6-11-8(12)5-4-7(10-11)9(13)14/h4-5H,2-3,6H2,1H3,(H,13,14)

InChI Key:

HPYLRCBYUYKMLK-UHFFFAOYSA-N

SMILES:

CCCCn1nc(ccc1=O)C(=O)O

Properties

Complexity:

307

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.206g/mol

Monoisotopic Mass:

196.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501