Basic information
- CAS
69243-44-3- Standard SMILES
CCCCCCCCCC(CCCCCCCC(=O)O)OC(=O)c1c2ccccc2cc2ccccc12- InChIKey
KCSPZBFHFNHKIQ-UHFFFAOYSA-N- Molecular formula
- C33H44O4
- Average molar mass
- 504.7 g/mol
- Monoisotopic mass
- 504.32395988
Names & identifiers
- Preferred name
- 9-(9-Anthroyloxy)stearic acid
- IUPAC
- 9-(anthracene-9-carbonyloxy)octadecanoic acid
- English name
- 9-(9-Anthroyloxy)stearicacid(9-AS)
- Molecular weight
- 0
Names & synonyms
9-(9-Anthroyloxy)stearic acid69243-44-39-AosaRefChem:1076979-(anthracene-9-carbonyloxy)octadecanoic acid9-Anthracenecarboxylic acid, 1-(7-carboxyheptyl)decyl esterSCHEMBL4633953DTXSID309889689-[(Anthracene-9-carbonyl)oxy]octadecanoic acid9-AS
Database identifiers
- CAS
69243-44-3- PubChem CID
- 129641
- DTXSID
DTXSID30988968- Nikkaji
- J1.214.755D
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 624
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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