Basic information
- CAS
853724-02-4- Standard SMILES
COC(=O)c1cn(CC(=O)O)c2ccccc12- InChIKey
RVDJXYPBINWDMV-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.06880783
Names & identifiers
- Preferred name
- 3-(Methoxycarbonyl)-1H-indole-1-acetic acid
- IUPAC
- 2-(3-methoxycarbonylindol-1-yl)acetic acid
Names & synonyms
2-[3-(methoxycarbonyl)-1H-indol-1-yl]acetic acid853724-02-4DTXSID7012631753-(Methoxycarbonyl)-1H-indole-1-acetic acid2-(3-(methoxycarbonyl)-1H-indol-1-yl)acetic acidRefChem:495374DTXCID601693852859-580-6[3-(methoxycarbonyl)-1H-indol-1-yl]acetic acid2-(3-methoxycarbonylindol-1-yl)acetic AcidSCHEMBL31346908DJB72402
Show more names
MFCD06655875AKOS000118478SY152791EN300-13467Z90121782
Database identifiers
- CAS
853724-02-4- PubChem CID
- 4962452
- DTXSID
DTXSID701263175- EC Number
- 859-580-6
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
0 records
No reaction records under the current filter.
Compound notes
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