Methyl (R)-4-(1-Hydroxyethyl)benzoate - CAS 129446-47-5
Catalog: |
BB006990 |
Product Name: |
Methyl (R)-4-(1-Hydroxyethyl)benzoate |
CAS: |
129446-47-5 |
Synonyms: |
4-[(1R)-1-hydroxyethyl]benzoic acid methyl ester; methyl 4-[(1R)-1-hydroxyethyl]benzoate |
IUPAC Name: | methyl 4-[(1R)-1-hydroxyethyl]benzoate |
Description: | Methyl (R)-4-(1-Hydroxyethyl)benzoate (CAS# 129446-47-5) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CC(C1=CC=C(C=C1)C(=O)OC)O |
InChI: | InChI=1S/C10H12O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7,11H,1-2H3/t7-/m1/s1 |
InChI Key: | KAXLTAULVFFCNL-SSDOTTSWSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
EP-2780014-A1 | Modulators of methyl modifying enzymes, compositions and uses thereof | 20111118 |
US-2014288123-A1 | Modulators of methyl modifying enzymes, compositions and uses thereof | 20111118 |
US-9206128-B2 | Modulators of methyl modifying enzymes, compositions and uses thereof | 20111118 |
WO-2013075083-A1 | Modulators of methyl modifying enzymes, compositions and uses thereof | 20111118 |
EP-2548874-A2 | Substituted piperazines as CB1 antagonists | 20070628 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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