9-Sulfooxymethyl-10-methylanthracene
Basic information
- CAS
130942-88-0- Standard SMILES
Cc1c2ccccc2c(COS(=O)(=O)O)c2ccccc12- InChIKey
ZHMHOWHTUXJIIC-UHFFFAOYSA-N- Molecular formula
- C16H14O4S
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.0612801
Names & identifiers
- Preferred name
- 9-Sulfooxymethyl-10-methylanthracene
- IUPAC
- (10-methylanthracen-9-yl)methyl hydrogen sulfate
Names & synonyms
9-Sulfooxymethyl-10-methylanthracene9-Anthracenemethanol, 10-methyl-, hydrogen sulfateK692863XXCDTXSID401567979-ANTHRACENEMETHANOL, 10-METHYL-, 9-(HYDROGEN SULFATE)RefChem:199286DTXCID3079288130942-88-0CCRIS 4482(10-methylanthracen-9-yl)methyl hydrogen sulfateUNII-K692863XXC
Database identifiers
- CAS
130942-88-0- PubChem CID
- 154343
- DTXSID
DTXSID40156797- UNII
- K692863XXC
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
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Compound notes
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