CID 2735215
Basic information
- CAS
959583-19-8- Standard SMILES
O=C(O)c1cccc(NC=C2C(=O)c3ccccc3C2=O)c1- InChIKey
VRPYJIICVOYEQG-UHFFFAOYSA-N- Molecular formula
- C17H11NO4
- Average molar mass
- 293.27 g/mol
Names & identifiers
- Preferred name
- CID 2735215
- IUPAC
- 3-[(1,3-dioxoinden-2-ylidene)methylamino]benzoic acid
- English name
- 3-(((1,3-Dioxoindan-2-ylidene)methyl)amino)benzoic acid
- Molecular formula
- C17H11NO4
- Molecular weight
- 293.27
Names & synonyms
3-(((1,3-Dioxoindan-2-ylidene)methyl)amino)benzoic acidBenzoic acid, 3-[[(1,3-dihydro-1,3-dioxo-2H-indenylidene)methyl]amino]-3-{[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]amino}benzoic acid
Database identifiers
- CAS
959583-19-8
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 499
Physicochemical properties
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2922290090 · 2922290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922290090
- hazard_code
- Xi
- hazard_note
- Irritant
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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