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Home Carboxys 3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid

3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid

CAS No.:
119736-16-2
Catalog Number:
AG000PKF
Molecular Formula:
C13H10O5
Molecular Weight:
246.2155
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$22
- +
5g
95%
In Stock USA
United States
$54
- +
10g
95%
In Stock USA
United States
$94
- +
25g
95%
In Stock USA
United States
$115
- +
Product Description
Catalog Number:
AG000PKF
Chemical Name:
3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid
CAS Number:
119736-16-2
Molecular Formula:
C13H10O5
Molecular Weight:
246.2155
MDL Number:
MFCD22741607
IUPAC Name:
4-oxo-3-phenylmethoxypyran-2-carboxylic acid
InChI:
InChI=1S/C13H10O5/c14-10-6-7-17-12(13(15)16)11(10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChI Key:
KJSJBKBZMGSIPT-UHFFFAOYSA-N
SMILES:
O=c1ccoc(c1OCc1ccccc1)C(=O)O
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.053g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.218g/mol
Monoisotopic Mass:
246.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties