Basic information
- CAS
51359-95-6- Standard SMILES
NC1CCC2(CC1)c1ccccc1C=Cc1ccccc12.O=C(O)/C=C/C(=O)O- InChIKey
XOVWJAYFBKBJOH-WLHGVMLRSA-N- Molecular formula
- C24H25NO4
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.17835828
Names & identifiers
- Preferred name
- Cpg 191
- IUPAC
- (E)-but-2-enedioic acid;spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine
Names & synonyms
CPG 19151359-95-6RefChem:1082253Spiro(5H-dibenzo(a,d)cycloheptene-5,1'-cyclohexan)-4'-amine, (Z)-2-butenedioate (1:1)4-Aminospiro(cyclohexane-1,5'(5'H)-dibenzo(a,d)cycloheptene maleic acid)
Database identifiers
- CAS
51359-95-6- PubChem CID
- 6445880
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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