Home Other Building Blocks 4-Morpholino-2-phenylbutanoic acid

4-Morpholino-2-phenylbutanoic acid

CAS No.:
858712-33-1
Catalog Number:
AG008GA8
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
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Product Description
Catalog Number:
AG008GA8
Chemical Name:
4-Morpholino-2-phenylbutanoic acid
CAS Number:
858712-33-1
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
4-morpholin-4-yl-2-phenylbutanoic acid
InChI:
InChI=1S/C14H19NO3/c16-14(17)13(12-4-2-1-3-5-12)6-7-15-8-10-18-11-9-15/h1-5,13H,6-11H2,(H,16,17)
InChI Key:
YXZMZIVJODDPQY-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)CCN1CCOCC1
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties