Completing data — usually done within a minute
Basic information
- CAS
5468-22-4- Standard SMILES
COc1cc(C(=O)O)cc(I)c1OC- InChIKey
YMKITVMTSMYARX-UHFFFAOYSA-N- Molecular formula
- C9H9IO4
- Average molar mass
- 308.07 g/mol
- Monoisotopic mass
- 307.95456
Names & identifiers
- Preferred name
- 3-Iodo-4,5-dimethoxybenzoic acid
- IUPAC
- 3-iodo-4,5-dimethoxybenzoic acid
Names & synonyms
3-iodo-4,5-dimethoxybenzoic acid5468-22-4DTXSID60282300RefChem:280044DTXCID20233454MFCD026699253-iodo-4,5-dimethoxy-benzoic acidNSC253765-iodoveratric acidSCHEMBL3544388YMKITVMTSMYARX-UHFFFAOYSA-N3,4-dimethoxy-5-iodobenzoic acid
Show more names
BBL034853NSC-25376STL416174AKOS017550089VS-12706CS-0331807H42276
Database identifiers
- CAS
5468-22-4- PubChem CID
- 230459
- DTXSID
DTXSID60282300- EC Number
- 141-418-4
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Chemistry & industry
Suppliers5 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
9 records
Compound notes
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