Home Other Building Blocks 2-Phenylbutyric acid

2-Phenylbutyric acid

CAS No.:
90-27-7
Catalog Number:
AG003HVA
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
99%(GC)
In Stock USA
United States
$40
- +
25g
99%(GC)
In Stock USA
United States
$64
- +
100g
99%(GC)
In Stock USA
United States
$113
- +
500g
99%(GC)
In Stock USA
United States
$371
- +
Product Description
Catalog Number:
AG003HVA
Chemical Name:
2-Phenylbutyric acid
CAS Number:
90-27-7
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00002667
IUPAC Name:
2-phenylbutanoic acid
InChI:
InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChI Key:
OFJWFSNDPCAWDK-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)C(=O)O
EC Number:
201-982-5
NSC Number:
1860
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties