4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid
Basic information
- CAS
71937-10-5- Standard SMILES
O=C(O)c1ccc(N=Cc2ccc3c(c2)OCO3)cc1- InChIKey
OKGVQSBODARQNC-UHFFFAOYSA-N- Molecular formula
- C15H11NO4
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 269.06880783
Names & identifiers
- Preferred name
- 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid
- IUPAC
- 4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid
Names & synonyms
71937-10-5BRN 02635504-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acidNSC405040Benzoic acid, 4-((1,3-benzodioxol-5-ylmethylene)amino)-Maybridge1_0036915-19-04-00228 (Beilstein Handbook Reference)SCHEMBL12416716HMS551P17DSHS 00502STK369454AKOS001592576
Show more names
NSC 405040NSC-405040EU-00671834-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}benzoic acid
Database identifiers
- CAS
71937-10-5- PubChem CID
- 101283
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 376
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Compound notes
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