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188600-23-9 | Phenol, 2-[(4-hydroxy-4-methyl-2-pentyn-1-yl)oxy]-
CAS No: 188600-23-9 Catalog No: AG002H1R MDL No:
Product Description
Catalog Number:
AG002H1R
Chemical Name:
Phenol, 2-[(4-hydroxy-4-methyl-2-pentyn-1-yl)oxy]-
CAS Number:
188600-23-9
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
2-(4-hydroxy-4-methylpent-2-ynoxy)phenol
InChI:
InChI=1S/C12H14O3/c1-12(2,14)8-5-9-15-11-7-4-3-6-10(11)13/h3-4,6-7,13-14H,9H2,1-2H3
InChI Key:
AGBDPIWIWYLDAL-UHFFFAOYSA-N
SMILES:
Oc1ccccc1OCC#CC(O)(C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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