1-(4-Methoxyphenyl)cyclobutanecarboxylic Acid - CAS 50921-37-4
Catalog: |
BB027273 |
Product Name: |
1-(4-Methoxyphenyl)cyclobutanecarboxylic Acid |
CAS: |
50921-37-4 |
Synonyms: |
1-(4-methoxyphenyl)-1-cyclobutanecarboxylic acid; 1-(4-methoxyphenyl)cyclobutane-1-carboxylic acid |
IUPAC Name: | 1-(4-methoxyphenyl)cyclobutane-1-carboxylic acid |
Description: | 1-(4-Methoxyphenyl)cyclobutanecarboxylic Acid (CAS# 50921-37-4) is a useful research chemical. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | COC1=CC=C(C=C1)C2(CCC2)C(=O)O |
InChI: | InChI=1S/C12H14O3/c1-15-10-5-3-9(4-6-10)12(11(13)14)7-2-8-12/h3-6H,2,7-8H2,1H3,(H,13,14) |
InChI Key: | FKPWMQWXYOZELT-UHFFFAOYSA-N |
LogP: | 2.20150 |
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 |
EP-3643703-A1 | Ep300/crebbp inhibitor | 20170621 |
JP-WO2018235966-A1 | EP300 / CREBBP inhibitor | 20170621 |
TW-201906838-A | EP300/CREBBP inhibitor | 20170621 |
WO-2018235966-A1 | EP300 / CREBBP inhibitor | 20170621 |
US-2021171520-A1 | Ep300/crebbp inhibitor | 20170621 |
Complexity: | 237 |
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: | 2.2 |
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