Basic information
- CAS
127761-05-1- Standard SMILES
COC(=O)c1c(C)c(I)c(O)c(OC)c1OC- InChIKey
DDAKTXCYCCRJKJ-UHFFFAOYSA-N- Molecular formula
- C11H13IO5
- Average molar mass
- 352.12 g/mol
- Monoisotopic mass
- 351.98077
Overview
structure given in first source
Names & identifiers
- Preferred name
- Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate
- IUPAC
- methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate
- English name
- methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate
- Molecular weight
- 0
Names & synonyms
127761-05-1Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoateHIDMDTXSID60155661RefChem:925684DTXCID6078152SCHEMBL29423307DDAKTXCYCCRJKJ-UHFFFAOYSA-METHYL 4-HYDROXY-3-IODO-5,6-DIMETHOXY-2-METHYLBENZOATEDB-109396Benzoic acid, 4-hydroxy-3-iodo-5,6-dimethoxy-2-methyl-, methyl esterInChI=1/C11H13IO5/c1-5-6(11(14)17-4)9(15-2)10(16-3)8(13)7(5)12/h13H,1-4H3
Database identifiers
- CAS
127761-05-1- PubChem CID
- 124455
- DTXSID
DTXSID60155661- Nikkaji
- J851.557C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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