Research chemical
CAS Number: 3318-08-9
![3',6'-dihydroxy-4-nitro-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one molecular structure, CAS 3318-08-9](/structure-images/3318-08-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
22505861
Exact Mass
377.053552
InChIKey
XURQCNORMJHFOV-UHFFFAOYSA-N
IUPAC Name
3',6'-dihydroxy-7-nitrospiro[2-benzofuran-3,9'-xanthene]-1-one
SMILES String
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc([N+](=O)[O-])c21
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
3',6'-dihydroxy-4-nitro-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one is identified by CAS 3318-08-9, with molecular formula C20H11NO7, molecular weight 377.3, InChIKey XURQCNORMJHFOV-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
XLogP
3.3
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
28
H-bond acceptors
8
H-bond donors
2
Rotatable bonds
1
Ring count
5
Aromatic rings
3
Topological polar surface area
119.13 Ų
Computed LogP
3.57
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
3',6'-dihydroxy-4-nitro-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one (CAS 3318-08-9) is listed in the Catalysts and Ligands portfolio, with molecular formula C20H11NO7 and molecular weight 377. 30 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for catalysis development, ligand screening, and synthetic method research; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Consult the supplier SDS before handling; For research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.