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

3-phenylpent-2-enoic acid

CAS No.:
174660-87-8
Catalog Number:
AG01AAQO
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
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Product Description
Catalog Number:
AG01AAQO
Chemical Name:
3-phenylpent-2-enoic acid
CAS Number:
174660-87-8
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD09889432
IUPAC Name:
3-phenylpent-2-enoic acid
InChI:
InChI=1S/C11H12O2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,12,13)
InChI Key:
STAOMSFSFGPGFQ-UHFFFAOYSA-N
SMILES:
CCC(=CC(=O)O)c1ccccc1
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.9  
Properties