3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
Basic information
- CAS
5550-48-1- Standard SMILES
CN1C(=O)NC(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)C1=O- InChIKey
ISHYSZDEAUYISB-UHFFFAOYSA-N- Molecular formula
- C16H12N2O5
- Average molar mass
- 312.28 g/mol
- Monoisotopic mass
- 312.07462149
Names & identifiers
- Preferred name
- 3-[5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
- IUPAC
- 3-[5-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
Names & synonyms
3-[5-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid5550-48-13-{5-[(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acidDTXSID30410794
Database identifiers
- CAS
5550-48-1- PubChem CID
- 5218072
- DTXSID
DTXSID30410794
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 559
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Compound notes
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