Methyl 3-(4-Methoxyphenyl)propiolate - CAS 7515-17-5
Catalog: |
BB035255 |
Product Name: |
Methyl 3-(4-Methoxyphenyl)propiolate |
CAS: |
7515-17-5 |
Synonyms: |
3-(4-methoxyphenyl)-2-propynoic acid methyl ester; methyl 3-(4-methoxyphenyl)prop-2-ynoate |
IUPAC Name: | methyl 3-(4-methoxyphenyl)prop-2-ynoate |
Description: | Methyl 3-(4-Methoxyphenyl)propiolate (CAS# 7515-17-5 ) is a useful research chemical. |
Molecular Weight: | 190.20 |
Molecular Formula: | C11H10O3 |
Canonical SMILES: | COC1=CC=C(C=C1)C#CC(=O)OC |
InChI: | InChI=1S/C11H10O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-4,6-7H,1-2H3 |
InChI Key: | MIWQTCPRUGGBLM-UHFFFAOYSA-N |
LogP: | 1.21970 |
Publication Number | Title | Priority Date |
EP-3233828-A1 | Estrogen receptor modulators and uses thereof | 20141218 |
EP-3233828-B1 | Estrogen receptor modulators and uses thereof | 20141218 |
US-2016304450-A1 | Estrogen receptor modulators and uses thereof | 20141218 |
US-2017197915-A9 | Estrogen receptor modulators and uses thereof | 20141218 |
US-9845291-B2 | Estrogen receptor modulators and uses thereof | 20141218 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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