2-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}benzoic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
63098-83-9- Standard SMILES
O=C(O)c1ccccc1N=Cc1ccc2c(c1)OCO2- InChIKey
RHCLXWLKFSMOBQ-UHFFFAOYSA-N- Molecular formula
- C15H11NO4
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 269.06880783
Names & identifiers
- Preferred name
- 2-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}benzoic acid
- IUPAC
- 2-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid
Names & synonyms
63098-83-9STK369455NSC405403DTXSID103239992-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}benzoic acidAKOS005444635NSC-405403ST509123252-{[(E)-1,3-Benzodioxol-5-yl]methylideneamino}benzoic acid2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}benzoic acid2-((1E)-2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-1-azavinyl)benzoic acid
Database identifiers
- CAS
63098-83-9- PubChem CID
- 346995
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…