Home Other Building Blocks 3-(4-methylphenyl)pent-2-enoic acid

3-(4-methylphenyl)pent-2-enoic acid

CAS No.:
174660-81-2
Catalog Number:
AG01ELYQ
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
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Product Description
Catalog Number:
AG01ELYQ
Chemical Name:
3-(4-methylphenyl)pent-2-enoic acid
CAS Number:
174660-81-2
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD09889433
IUPAC Name:
(E)-3-(4-methylphenyl)pent-2-enoic acid
InChI:
InChI=1S/C12H14O2/c1-3-10(8-12(13)14)11-6-4-9(2)5-7-11/h4-8H,3H2,1-2H3,(H,13,14)/b10-8+
InChI Key:
RLCKVRQDOMHDIV-CSKARUKUSA-N
SMILES:
CCC(=CC(=O)O)c1ccc(cc1)C
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties