Products for Research Use Only

AH 6696

CAT: 0013-GTR19171293-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171293-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AH 6696
CAS Number
6722-09-4
Product Name Alternative
5H- (1) Benzopyrano (2,3-b) pyridin-5-ol, AH 6696, AH6696, AH-6696
Purity
98.62% (May vary between batches)
Solubility
DMSO:60 mg/mL (301.19 mM)
Smiles
OC1C=2C (OC=3C1=CC=CN3) =CC=CC2
Molecular Formula
C12H9NO2
Molecular Weight
199.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AH 6696

gastric acid secretion inhibitor

CAS Number6722-09-4
PubChem CID192830
IUPAC Name5H-chromeno[2,3-b]pyridin-5-ol
Molecular FormulaC12H9NO2
Molecular Weight199.20
XLogP1.6
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity234
SMILES
C1=CC=C2C(=C1)C(C3=C(O2)N=CC=C3)O
InChI
InChI=1S/C12H9NO2/c14-11-8-4-1-2-6-10(8)15-12-9(11)5-3-7-13-12/h1-7,11,14H
InChIKey
CAOGEKWDLGLKQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AH 6696
CAS: 6722-09-4
CID: 192830
Formula: C12H9NO2
MW: 199.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight199.20
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass199.063328530
Monoisotopic Mass199.063328530
Topological Polar Surface Area42.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes