CID 6450477
Basic information
- CAS
82601-26-1- Standard SMILES
CN1CCC2c3ccccc3Cc3ccccc3N2C1.O=C(O)/C=C\C(=O)O- InChIKey
GUJPQBJNGCYMEC-BTJKTKAUSA-N- Molecular formula
- C22H24N2O4
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.17360725
Names & identifiers
- Preferred name
- CID 6450477
- IUPAC
- (Z)-but-2-enedioic acid;4-methyl-2,4-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
Names & synonyms
Org 230582601-26-1(Z)-But-2-enedioic acid;4-methyl-2,4-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
Database identifiers
- CAS
82601-26-1- PubChem CID
- 6450477
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 461
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…