Home Other Building Blocks Benzyl 2,2-dimethylbut-3-ynoate

Benzyl 2,2-dimethylbut-3-ynoate

CAS No.:
204588-77-2
Catalog Number:
AG0029L4
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$323
- +
1g
95%
1 week
United States
$753
- +
5g
95%
1 week
United States
$2184
- +
Product Description
Catalog Number:
AG0029L4
Chemical Name:
Benzyl 2,2-dimethylbut-3-ynoate
CAS Number:
204588-77-2
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
MDL Number:
MFCD03093341
IUPAC Name:
benzyl 2,2-dimethylbut-3-ynoate
InChI:
InChI=1S/C13H14O2/c1-4-13(2,3)12(14)15-10-11-8-6-5-7-9-11/h1,5-9H,10H2,2-3H3
InChI Key:
IVGCYRWSEREWFF-UHFFFAOYSA-N
SMILES:
C#CC(C(=O)OCc1ccccc1)(C)C
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties