Home Other Building Blocks 2-phenylbut-3-enoic acid

2-phenylbut-3-enoic acid

CAS No.:
30953-25-4
Catalog Number:
AG01AFVM
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AFVM
Chemical Name:
2-phenylbut-3-enoic acid
CAS Number:
30953-25-4
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD20638325
IUPAC Name:
2-phenylbut-3-enoic acid
InChI:
InChI=1S/C10H10O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h2-7,9H,1H2,(H,11,12)
InChI Key:
ZSQWQTABLXAFEZ-UHFFFAOYSA-N
SMILES:
C=CC(c1ccccc1)C(=O)O
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties