1-(4-Methoxyphenyl)-2-propyn-1-ol - CAS 19115-30-1
Catalog: |
BB014790 |
Product Name: |
1-(4-Methoxyphenyl)-2-propyn-1-ol |
CAS: |
19115-30-1 |
Synonyms: |
1-(4-methoxyphenyl)-2-propyn-1-ol; 1-(4-methoxyphenyl)prop-2-yn-1-ol |
IUPAC Name: | 1-(4-methoxyphenyl)prop-2-yn-1-ol |
Description: | 1-(4-Methoxyphenyl)-2-propyn-1-ol (CAS# 19115-30-1) is a useful research chemical. |
Molecular Weight: | 162.19 |
Molecular Formula: | C10H10O2 |
Canonical SMILES: | COC1=CC=C(C=C1)C(C#C)O |
InChI: | InChI=1S/C10H10O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h1,4-7,10-11H,2H3 |
InChI Key: | NJWJWMOLQUOFJR-UHFFFAOYSA-N |
Boiling Point: | 266.7 °C at 760 mmHg |
Density: | 1.12 g/cm3 |
LogP: | 1.36180 |
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PMID | Publication Date | Title | Journal |
3567921 | 19870501 | Structure-activity studies of the hepatocarcinogenicities of alkenylbenzene derivatives related to estragole and safrole on administration to preweanling male C57BL/6J x C3H/HeJ F1 mice | Cancer research |
6825084 | 19830301 | Structure-activity studies of the carcinogenicities in the mouse and rat of some naturally occurring and synthetic alkenylbenzene derivatives related to safrole and estragole | Cancer research |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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