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16487-09-5 | Pentanoic acid, 4-oxo-5-[(2-oxo-3-oxazolidinyl)imino]-
CAS No: 16487-09-5 Catalog No: AG001V3Y MDL No:
Product Description
Catalog Number:
AG001V3Y
Chemical Name:
Pentanoic acid, 4-oxo-5-[(2-oxo-3-oxazolidinyl)imino]-
CAS Number:
16487-09-5
Molecular Formula:
C8H10N2O5
Molecular Weight:
214.1754
IUPAC Name:
4-oxo-5-[(2-oxo-1,3-oxazolidin-3-yl)imino]pentanoic acid
InChI:
InChI=1S/C8H10N2O5/c11-6(1-2-7(12)13)5-9-10-3-4-15-8(10)14/h5H,1-4H2,(H,12,13)
InChI Key:
NLJKGWBOKSRIRM-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)C=NN1CCOC1=O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.177g/mol
Monoisotopic Mass:
214.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.8
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