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1219171-26-2 | 2H-Pyran-4-acetic acid, α-(acetylamino)tetrahydro-
CAS No: 1219171-26-2 Catalog No: AG0016E5 MDL No:MFCD09878738
Product Description
Catalog Number:
AG0016E5
Chemical Name:
2H-Pyran-4-acetic acid, α-(acetylamino)tetrahydro-
CAS Number:
1219171-26-2
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
MDL Number:
MFCD09878738
IUPAC Name:
2-acetamido-2-(oxan-4-yl)acetic acid
InChI:
InChI=1S/C9H15NO4/c1-6(11)10-8(9(12)13)7-2-4-14-5-3-7/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13)
InChI Key:
WBQXOUISLXTTBD-UHFFFAOYSA-N
SMILES:
OC(=O)C(C1CCOCC1)NC(=O)C
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
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