Home Other Building Blocks (R)-3-Phenylbutyric acid

(R)-3-Phenylbutyric acid

CAS No.:
772-14-5
Catalog Number:
AG003C9R
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
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Product Description
Catalog Number:
AG003C9R
Chemical Name:
(R)-3-Phenylbutyric acid
CAS Number:
772-14-5
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00077841
IUPAC Name:
(3R)-3-phenylbutanoic acid
InChI:
InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1
InChI Key:
ZZEWMYILWXCRHZ-MRVPVSSYSA-N
SMILES:
C[C@@H](c1ccccc1)CC(=O)O
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Lipase-catalyzed kinetic resolution on solid-phase via a 'capture and release' strategy. Journal of the American Chemical Society 20031119
Properties