4-(1-Hydroxyethyl)phenylboronic Acid - CAS 518336-20-4
Catalog: |
BB027624 |
Product Name: |
4-(1-Hydroxyethyl)phenylboronic Acid |
CAS: |
518336-20-4 |
Synonyms: |
[4-(1-hydroxyethyl)phenyl]boronic acid; [4-(1-hydroxyethyl)phenyl]boronic acid |
IUPAC Name: | [4-(1-hydroxyethyl)phenyl]boronic acid |
Description: | 4-(1-Hydroxyethyl)phenylboronic Acid (CAS# 518336-20-4) is a useful research chemical. |
Molecular Weight: | 165.98 |
Molecular Formula: | C8H11O3B |
Canonical SMILES: | B(C1=CC=C(C=C1)C(C)O)(O)O |
InChI: | InChI=1S/C8H11BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10-12H,1H3 |
InChI Key: | QORATNLZEOZUPG-UHFFFAOYSA-N |
LogP: | -0.58030 |
Publication Number | Title | Priority Date |
CN-107445885-B | Organic fluorescent sensing material capable of selectively detecting nerve toxicant and preparation method and application thereof | 20170720 |
AU-2016317806-A1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
CA-2995675-A1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
EP-3344613-A1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
EP-3344613-B1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0801244 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0801244 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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