2-Methoxy-4-(2-tetradecanoylcarbohydrazonoyl)phenyl 3-phenylacrylate
Basic information
- CAS
868607-76-5- Standard SMILES
CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1- InChIKey
RXMWILVVLVKUOB-SLHOKKQHSA-N- Molecular formula
- C31H42N2O4
- Average molar mass
- 506.7 g/mol
- Monoisotopic mass
- 506.31445783
Names & identifiers
- Preferred name
- 2-Methoxy-4-(2-tetradecanoylcarbohydrazonoyl)phenyl 3-phenylacrylate
- IUPAC
- [2-methoxy-4-[(E)-(tetradecanoylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
- English name
- 2-Methoxy-4-(2-tetradecanoylcarbohydrazonoyl)phenyl 3-phenylacrylate
- Molecular formula
- C31H42N2O4
- Molecular weight
- 506.68
Names & synonyms
AKOS0244142822-METHOXY-4-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 3-PHENYLACRYLATETetradecanoic acid, 2-[[3-methoxy-4-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]phenyl]methylene]hydrazide
Database identifiers
- CAS
868607-76-5- PubChem CID
- 9639554
- EC Number
- 136-766-9
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 672
Physicochemical properties
- Density
- 1.036 · 1.036±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.362 · 13.362±0.46(predicted)
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Compound notes
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