2-(o-Tolyl)-4-pentyn-2-ol - CAS 1343681-05-9
Catalog: |
BB007920 |
Product Name: |
2-(o-Tolyl)-4-pentyn-2-ol |
CAS: |
1343681-05-9 |
Synonyms: |
2-(2-methylphenyl)-4-pentyn-2-ol; 2-(2-methylphenyl)pent-4-yn-2-ol |
IUPAC Name: | 2-(2-methylphenyl)pent-4-yn-2-ol |
Description: | 2-(o-Tolyl)-4-pentyn-2-ol (CAS# 1343681-05-9 ) is a useful research chemical. |
Molecular Weight: | 174.24 |
Molecular Formula: | C12H14O |
Canonical SMILES: | CC1=CC=CC=C1C(C)(CC#C)O |
InChI: | InChI=1S/C12H14O/c1-4-9-12(3,13)11-8-6-5-7-10(11)2/h1,5-8,13H,9H2,2-3H3 |
InChI Key: | SYYWIMVNMOPTCH-UHFFFAOYSA-N |
LogP: | 2.22580 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.104465066 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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