Research chemical
CAS Number: 100117-48-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
885285
Exact Mass
206.094294
InChIKey
BLKZSCZBOQMBKO-UHFFFAOYSA-N
IUPAC Name
4-(4-acetylphenyl)butanoic acid
SMILES String
CC(=O)c1ccc(CCCC(=O)O)cc1
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.
Benzenebutanoic acid, 4-acetyl- is identified by CAS 100117-48-4, with molecular formula C12H14O3, molecular weight 206.24, InChIKey BLKZSCZBOQMBKO-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
2
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
15
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
5
Ring count
1
Aromatic rings
1
Topological polar surface area
54.37 Ų
Computed LogP
2.3
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
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
Benzenebutanoic acid, 4-acetyl- (CAS 100117-48-4) is listed in the Advanced Chemicals portfolio, with molecular formula C12H14O3 and molecular weight 206. 24 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows.
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.