Research chemical
CAS Number: 497820-23-2
![Bicyclo[4.1.0]heptane-7-carboxylic acid, (3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene ester molecular structure, CAS 497820-23-2](/structure-images/497820-23-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3098182
Exact Mass
562.235539
InChIKey
SMLZOAVHWOGOAJ-UHFFFAOYSA-N
IUPAC Name
[4-[1-[4-(bicyclo[4.1.0]heptane-7-carbonyloxy)phenyl]-3-oxo-2-benzofuran-1-yl]phenyl] bicyclo[4.1.0]heptane-7-carboxylate
SMILES String
O=C1OC(c2ccc(OC(=O)C3C4CCCCC43)cc2)(c2ccc(OC(=O)C3C4CCCCC43)cc2)c2ccccc21
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.
Bicyclo[4.1.0]heptane-7-carboxylic acid, (3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene ester is identified by CAS 497820-23-2, with molecular formula C36H34O6, molecular weight 562.6, InChIKey SMLZOAVHWOGOAJ-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
42
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
6
Ring count
8
Aromatic rings
3
Topological polar surface area
78.9 Ų
Computed LogP
6.83
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
Bicyclo[4. 1. 0]heptane-7-carboxylic acid, (3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene ester (CAS 497820-23-2) is maintained as a commercial cas reference with formula C36H34O6, molecular weight 562. 60 g/mol, PubChem CID 3098182.
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.
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.