Home Other Building Blocks 1-Hexyn-3-ol, 1-phenyl-

1-Hexyn-3-ol, 1-phenyl-

CAS No.:
1817-51-2
Catalog Number:
AG00232F
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
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Product Description
Catalog Number:
AG00232F
Chemical Name:
1-Hexyn-3-ol, 1-phenyl-
CAS Number:
1817-51-2
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD00046687
IUPAC Name:
1-phenylhex-1-yn-3-ol
InChI:
InChI=1S/C12H14O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6H2,1H3
InChI Key:
HGUIQUVFOYTZNC-UHFFFAOYSA-N
SMILES:
CCCC(C#Cc1ccccc1)O
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties