| CAS Number | 1168150-46-6 |
| Catalog Number | AG00921O(AGN-PC-0WCTU6) |
| Chemical Name | (3E)-2,3-Dihydro-3-(MethoxyphenylMethylene)-2-Oxo-1H-Indole-6-Carboxylic Acid Methyl Ester |
| EC Number | 927-895-9 |
| IUPAC Name | methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate |
| InChI | InChI=1S/C18H15NO4/c1-22-16(11-6-4-3-5-7-11)15-13-9-8-12(18(21)23-2)10-14(13)19-17(15)20/h3-10H,1-2H3,(H,19,20)/b16-15+ |
| InChI Key | WUVZENIISJMEHI-FOCLMDBBSA-N |
| MDL Number | MFCD28139165 |
| Molecular Formula | C18H15NO4 |
| Molecular Weight | 309.3160 |
| SMILES | O=C(C3=CC(NC2=O)=C(C=C3)/C2=C(OC)/C1=CC=CC=C1)OC |
| Synonyms | (E)-methyl 3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate,
1168150-46-6,
(3E)-2,3-Dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylic acid methyl ester,
BIBF1120OEth(1/4)aIa,
SCHEMBL2277337,
2,3-Dihydro-3-(MethoxyphenylMethylene)-2-oxo-1H-indole-6-carboxylic acid Methyl ester,
1438271-13-6,
BCP10265,
MFCD28139165,
AKOS030525396,
ZINC115967089,
AC-29696,
DS-19396,
ACN-036780,
3-[1-methoxy-1-phenylmeth-(E)-ylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid methyl ester,
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| Complexity | 507 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 309.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.321g/mol |
| Monoisotopic Mass | 309.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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