Home Other Building Blocks 2-(oxan-4-ylformamido)-3-phenylpropanoic acid

2-(oxan-4-ylformamido)-3-phenylpropanoic acid

CAS No.:
1132673-20-1
Catalog Number:
AG01DYFK
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
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Product Description
Catalog Number:
AG01DYFK
Chemical Name:
2-(oxan-4-ylformamido)-3-phenylpropanoic acid
CAS Number:
1132673-20-1
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
MDL Number:
MFCD13621454
IUPAC Name:
2-(oxane-4-carbonylamino)-3-phenylpropanoic acid
InChI:
InChI=1S/C15H19NO4/c17-14(12-6-8-20-9-7-12)16-13(15(18)19)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17)(H,18,19)
InChI Key:
TXUWRUWGKUAOEK-UHFFFAOYSA-N
SMILES:
O=C(C1CCOCC1)NC(C(=O)O)Cc1ccccc1
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties