Name: Name:2-methyl-1,1-dioxo-2H,3H,4H-1lambda6-pyrazolo[1,5-e][1,2,5]thiadiazine-7-carboxylic acid
Brand: Angene
SKU: AG01EKTQ
Rating: 90 (10 reviews)

2-methyl-1,1-dioxo-2H,3H,4H-1lambda6-pyrazolo[1,5-e][1,2,5]thiadiazine-7-carboxylic acid

CAS No.:

2138342-58-0

Catalog Number:

AG01EKTQ

Molecular Formula:

C7H9N3O4S

Molecular Weight:

231.2291

Catalog Number:

AG01EKTQ

Chemical Name:

2-methyl-1,1-dioxo-2H,3H,4H-1lambda6-pyrazolo[1,5-e][1,2,5]thiadiazine-7-carboxylic acid

CAS Number:

2138342-58-0

Molecular Formula:

C7H9N3O4S

Molecular Weight:

231.2291

MDL Number:

MFCD31421887

IUPAC Name:

2-methyl-1,1-dioxo-3,4-dihydropyrazolo[1,5-e][1,2,5]thiadiazine-7-carboxylic acid

InChI:

InChI=1S/C7H9N3O4S/c1-9-2-3-10-6(15(9,13)14)4-5(8-10)7(11)12/h4H,2-3H2,1H3,(H,11,12)

InChI Key:

YRSBAALFCZLCRF-UHFFFAOYSA-N

SMILES:

CN1CCn2c(S1(=O)=O)cc(n2)C(=O)O

Complexity:

376

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.226g/mol

Monoisotopic Mass:

231.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.7