| CAS Number | 2089650-26-8 |
| Catalog Number | AG01EL1E |
| Chemical Name | 1-{[(tert-butoxy)carbonyl]amino}-4-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid |
| IUPAC Name | 4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid |
| InChI | InChI=1S/C16H21NO5/c1-15(2,3)22-14(20)17-16(13(18)19)9-8-10-11(16)6-5-7-12(10)21-4/h5-7H,8-9H2,1-4H3,(H,17,20)(H,18,19) |
| InChI Key | ZUYKNUHAOCTFCM-UHFFFAOYSA-N |
| MDL Number | MFCD30829591 |
| Molecular Formula | C16H21NO5 |
| Molecular Weight | 307.3416 |
| SMILES | COC1=C2CCC(C(O)=O)(NC(OC(C)(C)C)=O)C2=CC=C1 |
| Synonyms | 1-((TERT-BUTOXYCARBONYL)AMINO)-4-METHOXY-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID,
1-{[(tert-butoxy)carbonyl]amino}-4-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid,
2089650-26-8,
|
| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.346g/mol |
| Monoisotopic Mass | 307.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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