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4-phenylpentanoic acid

CAS No.:
16433-43-5
Catalog Number:
AG01A0IQ
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
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Product Description
Catalog Number:
AG01A0IQ
Chemical Name:
4-phenylpentanoic acid
CAS Number:
16433-43-5
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00086322
IUPAC Name:
4-phenylpentanoic acid
InChI:
InChI=1S/C11H14O2/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)
InChI Key:
UIIMQLPOAXFKFW-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)CCC(=O)O
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties