Einecs 282-102-7
Basic information
- CAS
84100-21-0- Standard SMILES
CC(CCN1CCOCC1)C1CC(C(=O)Oc2ccccc2)CCO1.O=C(O)/C=C\C(=O)O- InChIKey
NMCNVYOYWAVACG-BTJKTKAUSA-N- Molecular formula
- C24H33NO8
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.22061701
Names & identifiers
- Preferred name
- Einecs 282-102-7
- IUPAC
- (Z)-but-2-enedioic acid;phenyl 2-(4-morpholin-4-ylbutan-2-yl)oxane-4-carboxylate
Names & synonyms
EINECS 282-102-784100-21-0Maleic acid, compound with 1-methyl-3-morpholinopropyl 4-phenyltetrahydro-2H-pyran-4-carboxylate (1:1)
Database identifiers
- CAS
84100-21-0- PubChem CID
- 44153233
- EC Number
- 282-102-7
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 523
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Compound notes
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