sales@angenesci.com
Login | Register
logo
Structures Search
Home Aldehydes 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde

4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde

CAS No.:
117569-57-0
Catalog Number:
AG0081HG
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG0081HG
Chemical Name:
4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde
CAS Number:
117569-57-0
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD07187866
IUPAC Name:
4-(3-hydroxy-3-methylbut-1-ynyl)benzaldehyde
InChI:
InChI=1S/C12H12O2/c1-12(2,14)8-7-10-3-5-11(9-13)6-4-10/h3-6,9,14H,1-2H3
InChI Key:
SLKHCIZTANAAEH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C#CC(O)(C)C
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties