2-(3,4-Dimethoxyphenyl)-4-pentyn-2-ol - CAS 2006278-36-8
Catalog: |
BB015618 |
Product Name: |
2-(3,4-Dimethoxyphenyl)-4-pentyn-2-ol |
CAS: |
2006278-36-8 |
Synonyms: |
2-(3,4-dimethoxyphenyl)-4-pentyn-2-ol; 2-(3,4-dimethoxyphenyl)pent-4-yn-2-ol |
IUPAC Name: | 2-(3,4-dimethoxyphenyl)pent-4-yn-2-ol |
Description: | 2-(3,4-Dimethoxyphenyl)-4-pentyn-2-ol (CAS# 2006278-36-8 ) is a useful research chemical. |
Molecular Weight: | 220.26 |
Molecular Formula: | C13H16O3 |
Canonical SMILES: | CC(CC#C)(C1=CC(=C(C=C1)OC)OC)O |
InChI: | InChI=1S/C13H16O3/c1-5-8-13(2,14)10-6-7-11(15-3)12(9-10)16-4/h1,6-7,9,14H,8H2,2-4H3 |
InChI Key: | SMPJBKXFVNOOFR-UHFFFAOYSA-N |
LogP: | 1.93460 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.109944368 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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