Home Other Building Blocks 1-[4-(prop-2-yn-1-yloxy)phenyl]ethan-1-ol

1-[4-(prop-2-yn-1-yloxy)phenyl]ethan-1-ol

CAS No.:
1156181-37-1
Catalog Number:
AG01AGHN
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
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Product Description
Catalog Number:
AG01AGHN
Chemical Name:
1-[4-(prop-2-yn-1-yloxy)phenyl]ethan-1-ol
CAS Number:
1156181-37-1
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD12185868
IUPAC Name:
1-(4-prop-2-ynoxyphenyl)ethanol
InChI:
InChI=1S/C11H12O2/c1-3-8-13-11-6-4-10(5-7-11)9(2)12/h1,4-7,9,12H,8H2,2H3
InChI Key:
XNUBHWKDHQFGOM-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)OCC#C)O
Properties
Complexity:
184  
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:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties