Home Other Building Blocks 3-Butyn-2-ol, 4-phenyl-

3-Butyn-2-ol, 4-phenyl-

CAS No.:
5876-76-6
Catalog Number:
AG00IAG6
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00IAG6
Chemical Name:
3-Butyn-2-ol, 4-phenyl-
CAS Number:
5876-76-6
MDL Number:
MFCD00046651
IUPAC Name:
4-phenylbut-3-yn-2-ol
InChI:
InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,1H3
InChI Key:
JYOZFNMFSVAZAW-UHFFFAOYSA-N
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.073g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.189g/mol
Monoisotopic Mass:
146.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Reductive metabolism of an alpha,beta-ketoalkyne, 4-phenyl-3-butyn-2-one, by rat liver preparations. Drug metabolism and disposition: the biological fate of chemicals 20020401
Properties