1-(3-Methoxy-4-methylphenyl)cyclopropanecarboxylic Acid - CAS 926209-30-5
Catalog: |
BB040574 |
Product Name: |
1-(3-Methoxy-4-methylphenyl)cyclopropanecarboxylic Acid |
CAS: |
926209-30-5 |
Synonyms: |
1-(3-methoxy-4-methylphenyl)-1-cyclopropanecarboxylic acid; 1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid |
IUPAC Name: | 1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid |
Description: | 1-(3-Methoxy-4-methylphenyl)cyclopropanecarboxylic Acid (CAS# 926209-30-5) is a useful research chemical. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | CC1=C(C=C(C=C1)C2(CC2)C(=O)O)OC |
InChI: | InChI=1S/C12H14O3/c1-8-3-4-9(7-10(8)15-2)12(5-6-12)11(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14) |
InChI Key: | WHSRBWOFSUGSHR-UHFFFAOYSA-N |
Boiling Point: | 365.4±37.0 °C (760 mmHg) |
Density: | 1.224±0.06 g/cm3 (20 °C. 760 mmH g) |
MDL: | MFCD08443417 |
LogP: | 2.11980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3016303-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
JP-2019514840-A | Modulator of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
US-10118916-B2 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
US-2017305891-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
WO-2017187321-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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