Research chemical
CAS Number: 18959-92-7
![1,3-Isobenzofurandione, 5,5'-[1,3-phenylenebis(oxy)]bis- molecular structure, CAS 18959-92-7](/structure-images/18959-92-7.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
6610699
Exact Mass
402.037567
InChIKey
ONEMZCBKPSBQJO-UHFFFAOYSA-N
IUPAC Name
5-[3-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione
SMILES String
O=C1OC(=O)c2cc(Oc3cccc(Oc4ccc5c(c4)C(=O)OC5=O)c3)ccc21
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
1,3-Isobenzofurandione, 5,5'-[1,3-phenylenebis(oxy)]bis- is identified by CAS 18959-92-7, with molecular formula C22H10O8, molecular weight 402.3, InChIKey ONEMZCBKPSBQJO-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
30
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
4
Ring count
5
Aromatic rings
3
Topological polar surface area
105.2 Ų
Computed LogP
3.89
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
1,3-Isobenzofurandione, 5,5'-[1,3-phenylenebis(oxy)]bis- (CAS 18959-92-7) is maintained as a commercial cas reference with formula C22H10O8, molecular weight 402. 30 g/mol, PubChem CID 6610699.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include drug-like rule profile.
Documentation needs
Review supplier documentation 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.