Research chemical
CAS Number: 631918-72-4
![4-(1',5'-Dihydro-1'-methyl-2'H-[5,6]fullereno-C60-Ih-[1,9-c]pyrrol-2'-yl)benzoic acid molecular structure, CAS 631918-72-4](/structure-images/631918-72-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
102211076
Exact Mass
897.078979
InChIKey
DRKDVDNXQUEKEL-UHFFFAOYSA-N
SMILES String
CN1CC23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C73C1c1ccc(C(=O)O)cc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
4-(1',5'-Dihydro-1'-methyl-2'H-[5,6]fullereno-C60-Ih-[1,9-c]pyrrol-2'-yl)benzoic acid is identified by CAS 631918-72-4, with molecular formula C70H11NO2, molecular weight 897.8, InChIKey DRKDVDNXQUEKEL-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
73
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
2
Ring count
34
Aromatic rings
29
Topological polar surface area
40.54 Ų
Computed LogP
17.68
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
4-(1',5'-Dihydro-1'-methyl-2'H-[5,6]fullereno-C60-Ih-[1,9-c]pyrrol-2'-yl)benzoic acid (CAS 631918-72-4) is maintained as a commercial cas reference with formula C70H11NO2, molecular weight 897. 80 g/mol, PubChem CID 102211076.
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 nitrogen-containing heterocycle.
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.