6-Chloro-4-hydroxychroman-2-carboxylic acid lactone
Basic information
- CAS
77155-94-3- Standard SMILES
O=C1OC2CC1Oc1ccc(Cl)cc12- InChIKey
CBOXLTPDJBPWPZ-UHFFFAOYSA-N- Molecular formula
- C10H7ClO3
- Average molar mass
- 210.61 g/mol
- Monoisotopic mass
- 210.0083718
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6-Chloro-4-hydroxychroman-2-carboxylic acid lactone
- IUPAC
- 4-chloro-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-one
- English name
- 6-chloro-4-hydroxychroman-2-carboxylic acid lactone
- Molecular formula
- C10H7ClO3
- Molecular weight
- 210.61
Names & synonyms
Chccal6-Chloro-4-hydroxychroman-2-carboxylic acid lactone77155-94-32,5-Methano-5H-1,4-benzodioxepin-3(2H)-one, 7-chloro-RefChem:104399DTXSID209984104-chloro-8,11-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-one7-Chloro-5H-2,5-methano-1,4-benzodioxepin-3(2H)-onePubChem ID: 173573
Database identifiers
- CAS
77155-94-3- PubChem CID
- 173573
- DTXSID
DTXSID20998410
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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