| CAS Number | 1678539-52-0 |
| Catalog Number | AG01EHAS(AGN-PC-3H45GA) |
| Chemical Name | 4-[1-(Ethoxycarbonyl)cyclopropyl]phenylboronic acid |
| IUPAC Name | [4-(1-ethoxycarbonylcyclopropyl)phenyl]boronic acid |
| InChI | InChI=1S/C12H15BO4/c1-2-17-11(14)12(7-8-12)9-3-5-10(6-4-9)13(15)16/h3-6,15-16H,2,7-8H2,1H3 |
| InChI Key | IGXGGWGUOKCYGS-UHFFFAOYSA-N |
| MDL Number | MFCD30741984 |
| Molecular Formula | C12H15BO4 |
| Molecular Weight | 234.0561 |
| SMILES | OB(C1=CC=C(C2(C(OCC)=O)CC2)C=C1)O |
| Synonyms | 4-[1-(Ethoxycarbonyl)cyclopropyl]phenylboronic acid,
1678539-52-0,
SCHEMBL2761514,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.058g/mol |
| Monoisotopic Mass | 234.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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