| CAS Number | 1628507-89-0 |
| Catalog Number | AG00HYSP |
| Chemical Name | 1-[4-(Dihydroxyboranyl)-3-methylphenyl]cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(4-borono-3-methylphenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H13BO4/c1-7-6-8(2-3-9(7)12(15)16)11(4-5-11)10(13)14/h2-3,6,15-16H,4-5H2,1H3,(H,13,14) |
| InChI Key | GNYDSCKYOPJKTK-UHFFFAOYSA-N |
| MDL Number | MFCD21609531 |
| Molecular Formula | C11H13BO4 |
| Molecular Weight | 220.0295 |
| SMILES | OC(=O)C1(CC1)c1ccc(c(c1)C)B(O)O |
| Synonyms | 1-[4-(Dihydroxyboranyl)-3-methylphenyl]cyclopropane-1-carboxylic acid,
1628507-89-0,
1-(4-Borono-3-methylphenyl)cyclopropanecarboxylic acid,
SCHEMBL16061925,
GNYDSCKYOPJKTK-UHFFFAOYSA-N,
MFCD21609531,
ZINC169964760,
W2867,
B-9167,
1-[4-(dihydroxyboranyl)-3-methylphenyl]cyclo-propane-1-carboxylic acid,
C11H13BO4,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.031g/mol |
| Monoisotopic Mass | 220.091g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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