Home Carboxys 4-Benzyl-5-oxomorpholine-3-carboxylic acid

4-Benzyl-5-oxomorpholine-3-carboxylic acid

CAS No.:
106910-79-6
Catalog Number:
AG008RP0
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>97%
In Stock USA
United States
$103
- +
Product Description
Catalog Number:
AG008RP0
Chemical Name:
4-Benzyl-5-oxomorpholine-3-carboxylic acid
CAS Number:
106910-79-6
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD11042914
IUPAC Name:
4-benzyl-5-oxomorpholine-3-carboxylic acid
InChI:
InChI=1S/C12H13NO4/c14-11-8-17-7-10(12(15)16)13(11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)
InChI Key:
LAHROJZLGLNLBT-UHFFFAOYSA-N
SMILES:
OC(=O)C1COCC(=O)N1Cc1ccccc1
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties