Home Other Building Blocks Benzyl pent-4-ynoate

Benzyl pent-4-ynoate

CAS No.:
126378-11-8
Catalog Number:
AG000SPY
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$77
- +
250mg
95%
In Stock USA
United States
$139
- +
1g
95%
In Stock USA
United States
$278
- +
5g
95%
In Stock USA
United States
$832
- +
Product Description
Catalog Number:
AG000SPY
Chemical Name:
Benzyl pent-4-ynoate
CAS Number:
126378-11-8
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD22023868
IUPAC Name:
benzyl pent-4-ynoate
InChI:
InChI=1S/C12H12O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h1,4-8H,3,9-10H2
InChI Key:
XGYMSTGTNFBNFT-UHFFFAOYSA-N
SMILES:
C#CCCC(=O)OCc1ccccc1
Properties
Complexity:
218  
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:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties