| CAS Number | 5418-43-9 |
| Catalog Number | AG003UT5(AGN-PC-0SGP1Q) |
| Chemical Name | Sodium 2-isopropyl-5-methyl-4-((4-oxocyclohexa-2,5-dien-1-ylidene)amino)phenolate |
| IUPAC Name | sodium;5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-propan-2-ylphenolate |
| InChI | InChI=1S/C16H17NO2.Na/c1-10(2)14-9-15(11(3)8-16(14)19)17-12-4-6-13(18)7-5-12;/h4-10,19H,1-3H3;/q;+1/p-1 |
| InChI Key | VSHCTHOZOJWONF-UHFFFAOYSA-M |
| MDL Number | MFCD00058962 |
| Molecular Formula | C16H16NNaO2 |
| Molecular Weight | 277.2935 |
| SMILES | O=C1C=CC(C=C1)=NC2=CC(C(C)C)=C(C=C2C)[O-].[Na+] |
| Synonyms | Thymolindophenol Sodium Salt,
5418-43-9,
Sodium 2-isopropyl-5-methyl-4-((4-oxocyclohexa-2,5-dien-1-ylidene)amino)phenolate,
KS-000012PJ,
MFCD00058962,
VZ33882,
FT-0635690,
M0408,
5'-Isopropyl-2'-methylindophenol Sodium Salt,
C-17441,
5'-Isopropyl-2'-methylindophenolSodiumSalt[RedoxIndicator],
5'-Isopropyl-2'-methylindophenol Sodium Salt [Redox Indicator],
sodium 2-isopropyl-5-methyl-4-(4-oxocyclohexa-2,5-dienylideneamino)phenolate,
sodium;5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-propan-2-ylphenolate,
2,5-Cyclohexadien-1-one,4-[[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]imino]-, sodium salt (1:1),
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.299g/mol |
| Monoisotopic Mass | 277.108g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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