| CAS Number | 502498-89-7 |
| Catalog Number | AG01FKZL(AGN-PC-01NFVJ) |
| Chemical Name | 1-Methoxyiminoindan-5-boronic acid |
| IUPAC Name | [(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]boronic acid |
| InChI | InChI=1S/C10H12BNO3/c1-15-12-10-5-2-7-6-8(11(13)14)3-4-9(7)10/h3-4,6,13-14H,2,5H2,1H3/b12-10+ |
| InChI Key | UVWBADYWXYEXEE-ZRDIBKRKSA-N |
| MDL Number | MFCD25963811 |
| Molecular Formula | C10H12BNO3 |
| Molecular Weight | 205.0182 |
| SMILES | OB(C1=CC2=C(/C(CC2)=N/OC)C=C1)O |
| Synonyms | 502498-89-7,
1-Methoxyiminoindan-5-boronic acid,
1-(methoxyimino)-2,3-dihydro-1H-inden-5-ylboronic acid,
SCHEMBL4128354,
SCHEMBL4128361,
AS-55515,
[(1E)-1-(methoxyimino)-2,3-dihydro-1H-inden-5-yl]boronic acid,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 205.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.02g/mol |
| Monoisotopic Mass | 205.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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