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27760-38-9 | 3-Pentyn-2-ol, 5-phenoxy-
CAS No: 27760-38-9 Catalog No: AG002UOX MDL No:
Product Description
Catalog Number:
AG002UOX
Chemical Name:
3-Pentyn-2-ol, 5-phenoxy-
CAS Number:
27760-38-9
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
5-phenoxypent-3-yn-2-ol
InChI:
InChI=1S/C11H12O2/c1-10(12)6-5-9-13-11-7-3-2-4-8-11/h2-4,7-8,10,12H,9H2,1H3
InChI Key:
ASFLCCZOJYDFCN-UHFFFAOYSA-N
SMILES:
CC(C#CCOc1ccccc1)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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