9-Anthracenemethanol, acetate
Basic information
- CAS
16430-32-3- Standard SMILES
CC(=O)OCc1c2ccccc2cc2ccccc12- InChIKey
BFEHYQIEGSRACK-UHFFFAOYSA-N- Molecular formula
- C17H14O2
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.09937969
Names & identifiers
- Preferred name
- 9-Anthracenemethanol, acetate
- IUPAC
- anthracen-9-ylmethyl acetate
Names & synonyms
9-Anthrylmethyl acetateanthracen-9-ylmethyl acetate16430-32-39-Acetoxymethylanthracene9-ANTHRACENEMETHANOL, ACETATE(ANTHRACEN-9-YL)METHYL ACETATESYQ9PQ3DUE9-(Acetoxymethyl)anthraceneCCRIS 2797BRN 20543099-anthrylmethylacetateUNII-SYQ9PQ3DUE
Show more names
SCHEMBL2222008SCHEMBL31326117DTXSID00167743BFEHYQIEGSRACK-UHFFFAOYSA-NO-ACETYLANTHRACENE-9-METHANOLHS-41659-ANTHRACENEMETHANOL, 9-ACETATE
Database identifiers
- CAS
16430-32-3- PubChem CID
- 27876
- DTXSID
DTXSID00167743- UNII
- SYQ9PQ3DUE
- Nikkaji
- J1.490.269D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Related reactions
2 records
Compound notes
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