Home Other Building Blocks [4-(but-3-yn-2-yloxy)phenyl]methanol

[4-(but-3-yn-2-yloxy)phenyl]methanol

CAS No.:
1803571-00-7
Catalog Number:
AG01BD6I
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
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Product Description
Catalog Number:
AG01BD6I
Chemical Name:
[4-(but-3-yn-2-yloxy)phenyl]methanol
CAS Number:
1803571-00-7
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD28012415
IUPAC Name:
(4-but-3-yn-2-yloxyphenyl)methanol
InChI:
InChI=1S/C11H12O2/c1-3-9(2)13-11-6-4-10(8-12)5-7-11/h1,4-7,9,12H,8H2,2H3
InChI Key:
QNQCTTCIVXSJLP-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)OC(C#C)C
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