Home Other Building Blocks (S)-4-tert-Butoxy-4-oxo-2-phenylbutanoic acid

(S)-4-tert-Butoxy-4-oxo-2-phenylbutanoic acid

CAS No.:
245323-38-0
Catalog Number:
AG002OG3
Molecular Formula:
C14H17O4-
Molecular Weight:
249.2824
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$307
- +
1g
97%
1 week
United States
$712
- +
Product Description
Catalog Number:
AG002OG3
Chemical Name:
(S)-4-tert-Butoxy-4-oxo-2-phenylbutanoic acid
CAS Number:
245323-38-0
Molecular Formula:
C14H17O4-
Molecular Weight:
249.2824
MDL Number:
MFCD09910068
IUPAC Name:
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-phenylbutanoic acid
InChI:
InChI=1S/C14H18O4/c1-14(2,3)18-12(15)9-11(13(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,17)/t11-/m0/s1
InChI Key:
ICZBQHPMSPTRJO-NSHDSACASA-N
SMILES:
O=C(OC(C)(C)C)C[C@@H](c1ccccc1)C(=O)[O-]
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties