Basic information
- Standard SMILES
COc1ccc(I)c(CC(=O)O)c1- InChIKey
ZRIUMVJDVBPHNF-UHFFFAOYSA-N- Molecular formula
- C9H9IO3
- Average molar mass
- 292.07 g/mol
Names & identifiers
- Preferred name
- 2-(2-Iodo-5-methoxyphenyl)acetic acid
- IUPAC
- 2-(2-iodo-5-methoxyphenyl)acetic acid
- English name
- (2-Iodo-5-methoxyphenyl)acetic acid
- Molecular formula
- C9H9IO3
- Molecular weight
- 292.07
Names & synonyms
2-(2-iodo-5-methoxyphenyl)acetic acid73029-52-4(2-iodo-5-methoxyphenyl)acetic acid2-Iodo-5-methoxybenzeneacetic AcidAN-967/25120002SCHEMBL7322443SCHEMBL30468420ZRIUMVJDVBPHNF-UHFFFAOYSA-NAKOS005216309AT25197EN300-313328
Database identifiers
- CAS
73029-52-4- PubChem CID
- 820071
- EC Number
- 116-612-7
- Nikkaji
- J2.313.526D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
10 records
Linked notes
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