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188600-22-8 | Phenol, 2-[(4-hydroxy-2-butyn-1-yl)oxy]-
CAS No: 188600-22-8 Catalog No: AG002H1S MDL No:
Product Description
Catalog Number:
AG002H1S
Chemical Name:
Phenol, 2-[(4-hydroxy-2-butyn-1-yl)oxy]-
CAS Number:
188600-22-8
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
2-(4-hydroxybut-2-ynoxy)phenol
InChI:
InChI=1S/C10H10O3/c11-7-3-4-8-13-10-6-2-1-5-9(10)12/h1-2,5-6,11-12H,7-8H2
InChI Key:
CEESDYKLGMAIPY-UHFFFAOYSA-N
SMILES:
OCC#CCOc1ccccc1O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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