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
Identifiers
CAS number
26774-89-0SMILES
COC(=O)C=C(C)N[C@@H](C([O-])=O)C1=CCC=CC1.[Na+]InChIKey
USHNGKXDKJHHRG-UTONKHPSSA-NInChI
InChI=1S/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/t12-;/m1./s1Weigh 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
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds