2-Ethoxy-3-formyl-5-methylphenylboronic acid - CAS 480424-54-2
Catalog: |
BB026456 |
Product Name: |
2-Ethoxy-3-formyl-5-methylphenylboronic acid |
CAS: |
480424-54-2 |
Synonyms: |
(2-ethoxy-3-formyl-5-methylphenyl)boronic acid |
IUPAC Name: | (2-ethoxy-3-formyl-5-methylphenyl)boronic acid |
Description: | 2-Ethoxy-3-formyl-5-methylphenylboronic acid (CAS# 480424-54-2) is a useful research chemical. |
Molecular Weight: | 208.02 |
Molecular Formula: | C10H13BO4 |
Canonical SMILES: | B(C1=CC(=CC(=C1OCC)C=O)C)(O)O |
InChI: | InChI=1S/C10H13BO4/c1-3-15-10-8(6-12)4-7(2)5-9(10)11(13)14/h4-6,13-14H,3H2,1-2H3 |
InChI Key: | PICMLDFIWSDJPE-UHFFFAOYSA-N |
Melting Point: | 122-126 ℃ |
Purity: | 95 % |
MDL: | MFCD08276749 |
LogP: | -0.11400 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2013166735-A | New complex, catalyst for polymerization and catalyst for oligomerization including the complex, and use thereof | 20120216 |
US-2012245124-A1 | TRPV3 Modulators | 20110324 |
US-9012651-B2 | TRPV3 modulators | 20110324 |
WO-2012129491-A1 | Trpv3 modulators | 20110324 |
DK-2599771-T3 | naphthalene | 20100730 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.0906891 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.0906891 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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