Home Other Building Blocks 3-methyl-5-phenylpent-2-enoic acid

3-methyl-5-phenylpent-2-enoic acid

CAS No.:
1807941-97-4
Catalog Number:
AG01A8LU
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
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Product Description
Catalog Number:
AG01A8LU
Chemical Name:
3-methyl-5-phenylpent-2-enoic acid
CAS Number:
1807941-97-4
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD11172856
IUPAC Name:
3-methyl-5-phenylpent-2-enoic acid
InChI:
InChI=1S/C12H14O2/c1-10(9-12(13)14)7-8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14)
InChI Key:
PKKDVUKRJTUHOI-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)O)CCc1ccccc1
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.1  
Properties