Research chemical
CAS Number: 69168-45-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
115189
Exact Mass
400.24023
InChIKey
JORFLUCVQONOPN-UHFFFAOYSA-N
IUPAC Name
12-pyren-1-yldodecanoic acid
SMILES String
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCCCCCCCCC(=O)O
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.
12-(1-Pyrene)dodecanoic acid is identified by CAS 69168-45-2, with molecular formula C28H32O2, molecular weight 400.6, InChIKey JORFLUCVQONOPN-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.
Heavy atom count
30
H-bond acceptors
2
H-bond donors
1
Rotatable bonds
12
Ring count
4
Aromatic rings
4
Topological polar surface area
37.3 Ų
Computed LogP
8.11
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
12-(1-Pyrene)dodecanoic acid (CAS 69168-45-2) is maintained as a commercial cas reference with formula C28H32O2, molecular weight 400. 60 g/mol, PubChem CID 115189.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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.