Basic information
- CAS
37469-99-1- Standard SMILES
CCCCCCC(CCCCCCCCCCC(=O)O)C(=O)c1c2ccccc2cc2ccccc12- InChIKey
JMMLWELOFXAQEI-UHFFFAOYSA-N- Molecular formula
- C33H44O3
- Average molar mass
- 488.7 g/mol
- Monoisotopic mass
- 488.32904527
Names & identifiers
- Preferred name
- 12-(9-Anthroyl)stearic acid
- IUPAC
- 12-(anthracene-9-carbonyl)octadecanoic acid
- English name
- 12-(9-anthroyl)stearic acid
- Molecular weight
- 0
Names & synonyms
Anthroylstearic acid12-(9-Anthroyl)stearic acid37469-99-1RefChem:7812912-(anthracene-9-carbonyl)octadecanoic acid9-Anthracenetridecanoic acid, .lambda.-hexyl-mu-oxo-SCHEMBL9690237DTXSID50958562
Database identifiers
- CAS
37469-99-1- PubChem CID
- 65406
- DTXSID
DTXSID50958562
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 606
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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