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

2-(oxan-4-ylformamido)propanoic acid

CAS No.:
1516949-42-0
Catalog Number:
AG01AGXB
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
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Product Description
Catalog Number:
AG01AGXB
Chemical Name:
2-(oxan-4-ylformamido)propanoic acid
CAS Number:
1516949-42-0
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
MDL Number:
MFCD11170037
IUPAC Name:
2-(oxane-4-carbonylamino)propanoic acid
InChI:
InChI=1S/C9H15NO4/c1-6(9(12)13)10-8(11)7-2-4-14-5-3-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChI Key:
DLEPCBYYGUHQCP-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)NC(=O)C1CCOCC1
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties