Home Other Building Blocks 3-hydroxy-3-phenylpentanoic acid

3-hydroxy-3-phenylpentanoic acid

CAS No.:
13278-26-7
Catalog Number:
AG01C2KX
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG01C2KX
Chemical Name:
3-hydroxy-3-phenylpentanoic acid
CAS Number:
13278-26-7
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD11935402
IUPAC Name:
3-hydroxy-3-phenylpentanoic acid
InChI:
InChI=1S/C11H14O3/c1-2-11(14,8-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H,12,13)
InChI Key:
AABQFWMUVKJALN-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)(CC(=O)O)O
NSC Number:
168216
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties