Basic information
- Standard SMILES
COC(=O)c1ccc(C(=O)O)c(OC)c1- InChIKey
KDMXUDOMAMCSBX-UHFFFAOYSA-N- Molecular formula
- C10H10O5
- Average molar mass
- 210.18 g/mol
Names & identifiers
- Preferred name
- 2-Methoxy-4-(methoxycarbonyl)benzoic acid
- IUPAC
- 2-methoxy-4-methoxycarbonylbenzoic acid
Names & synonyms
2-methoxy-4-(methoxycarbonyl)benzoic acidRefChem:474372860-663-4MFCD224910942-methoxy-4-methoxycarbonylbenzoic acidSCHEMBL644612KDMXUDOMAMCSBX-UHFFFAOYSA-N4-Carbomethoxy-2-methoxybenzoic acid2-methoxy-4-methoxycarbonyl-benzoic acid2-methoxyterephthalic acid 4-methyl esterDB-167570CS-0131183
Show more names
EN300-379249F620307
Database identifiers
- CAS
256936-25-1- PubChem CID
- 59340334
- EC Number
- 860-663-4
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
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%)
Related reactions
25 records
Linked notes
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