Home Other Building Blocks ethyl 4-phenylbut-2-ynoate

ethyl 4-phenylbut-2-ynoate

CAS No.:
96417-50-4
Catalog Number:
AG01A67J
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A67J
Chemical Name:
ethyl 4-phenylbut-2-ynoate
CAS Number:
96417-50-4
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD03982631
IUPAC Name:
ethyl 4-phenylbut-2-ynoate
InChI:
InChI=1S/C12H12O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,9H2,1H3
InChI Key:
FTCCQRCYCSPLDX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C#CCc1ccccc1
Properties
Complexity:
238  
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:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties