| CAS Number | 36329-85-8 |
| Catalog Number | AG00C7KV(AGN-PC-0KS8CV) |
| Chemical Name | 3-PHENYLPROPYLBORONIC ACID |
| IUPAC Name | 3-phenylpropylboronic acid |
| InChI | InChI=1S/C9H13BO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,7-8H2 |
| InChI Key | DFHNKJXEZXIYPW-UHFFFAOYSA-N |
| MDL Number | MFCD01074582 |
| Molecular Formula | C9H13BO2 |
| Molecular Weight | 164.0093 |
| SMILES | OB(CCCC1=CC=CC=C1)O |
| Synonyms | 3-phenylpropylboronic Acid,
(3-Phenylpropyl)boronic acid,
36329-85-8,
AC1MNXW8,
3-Phenylpropyl boronic acid,
SCHEMBL3673151,
CTK4H6313,
DTXSID60391345,
Boronic acid,B-(3-phenylpropyl)-,
AKOS013014528,
ZINC169904763,
RL03379,
ACM36329858,
BBV-37735782,
AX8226146,
C-1281,
A823209,
J-513063,
(3-Phenylpropyl)boronicacid,
CID3311495,
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| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.011g/mol |
| Monoisotopic Mass | 164.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.5A^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