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1-[(2-Chloroprop-2-en-1-yl)oxy]-4-methoxyanthracene-9,10-dione

HCID 13788856
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Basic information

CAS
112723-07-6
Standard SMILES
C=C(Cl)COc1ccc(OC)c2c1C(=O)c1ccccc1C2=O
InChIKey
MHMAJLSSOSZGIJ-UHFFFAOYSA-N
Molecular formula
C18H13ClO4
Average molar mass
328.7 g/mol
Monoisotopic mass
328.0502366

Names & identifiers

Preferred name
1-[(2-Chloroprop-2-en-1-yl)oxy]-4-methoxyanthracene-9,10-dione
IUPAC
1-(2-chloroprop-2-enoxy)-4-methoxyanthracene-9,10-dione

Names & synonyms

112723-07-61-((2-Chloroallyl)oxy)-4-methoxyanthracene-9,10-dioneDTXSID905494781-[(2-Chloroprop-2-en-1-yl)oxy]-4-methoxyanthracene-9,10-dione

Database identifiers

CAS
112723-07-6
PubChem CID
13788856
DTXSID
DTXSID90549478

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
503

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