1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)-
Properties
- Molecular formula
- C13H16NNaO4
- Molar mass
- 273.26 g/mol
- Exact mass
- 273.0977 Da
- logP
- 1.00Crippen estimate
- Polar surface area
- 75.6 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 5
- Stereocentres
- Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
26774-89-0SMILES
COC(=O)C=C(C)N[C@@H](C([O-])=O)C1=CCC=CC1.[Na+]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 1,4-Cyclohexadiene-1-acetic acid, α-[(2-carboxy-1-methylvinyl)amino]-, α-methyl ester, sodium salt, D-
- 1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-, monosodium salt, (R)-
- 1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-, monosodium salt, (αR)-
Work with 1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)-
Similar compounds
Potassium N-(1-methoxycarbonyl-1-propen-2-yl)-α-amino-p-hydroxyphenylacetate69416-61-141 % similar
Potassium D-(1-ethoxycarbonylpropen-2-yl)-α-aminophenylacetate961-69-334 % similar
Methyl 3-methyl-2-butenoate924-50-531 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.