Name: Name:4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a]azepine-2-carboxylic acid
Brand: Angene
SKU: AG01BHVG
Rating: 90 (10 reviews)

4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a]azepine-2-carboxylic acid

CAS No.:

459157-21-2

Catalog Number:

AG01BHVG

Molecular Formula:

C9H10N2O3

Molecular Weight:

194.1873

Catalog Number:

AG01BHVG

Chemical Name:

4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a]azepine-2-carboxylic acid

CAS Number:

459157-21-2

Molecular Formula:

C9H10N2O3

Molecular Weight:

194.1873

MDL Number:

MFCD20645610

IUPAC Name:

4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid

InChI:

InChI=1S/C9H10N2O3/c12-8-3-1-2-4-11-7(8)5-6(10-11)9(13)14/h5H,1-4H2,(H,13,14)

InChI Key:

VKMIXLGLQJUAKF-UHFFFAOYSA-N

SMILES:

O=C1CCCCn2c1cc(n2)C(=O)O

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.19g/mol

Monoisotopic Mass:

194.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6