Home Other Building Blocks Methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate

Methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate

CAS No.:
33577-98-9
Catalog Number:
AG00BYJE
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$137
- +
1g
95%
1 week
United States
$349
- +
Product Description
Catalog Number:
AG00BYJE
Chemical Name:
Methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate
CAS Number:
33577-98-9
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD00168836
IUPAC Name:
methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate
InChI:
InChI=1S/C13H14O3/c1-13(2,15)9-8-10-4-6-11(7-5-10)12(14)16-3/h4-7,15H,1-3H3
InChI Key:
HPQVSXSPVIQMCE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C#CC(O)(C)C
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties