| CAS Number | 1050424-08-2 |
| Catalog Number | AG0085E5(AGN-PC-0WA8DL) |
| Chemical Name | 3-Borono-5-methoxybenzoic acid |
| IUPAC Name | 3-borono-5-methoxybenzoic acid |
| InChI | InChI=1S/C8H9BO5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4,12-13H,1H3,(H,10,11) |
| InChI Key | UDYMDCFKOUCBHW-UHFFFAOYSA-N |
| MDL Number | MFCD12546477 |
| Molecular Formula | C8H9BO5 |
| Molecular Weight | 195.9651 |
| SMILES | O=C(O)C1=CC(OC)=CC(B(O)O)=C1 |
| Synonyms | 3-Borono-5-methoxybenzoic acid,
1050424-08-2,
3-CARBOXY-5-METHOXYPHENYLBORONIC ACID,
ACMC-2098ek,
SCHEMBL14654651,
CTK4A3570,
DTXSID50675121,
ANW-15162,
FCH923698,
MFCD12546477,
AKOS006344048,
ZINC169904758,
OR360880,
AX8231246,
TR-033928,
Z6780,
A-4331,
I04-6293,
C8H9BO5,
3-Borono-5-methoxybenzoicacid,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.965g/mol |
| Monoisotopic Mass | 196.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number