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170012-85-8 | 3-Isoxazolidinone, 5-methoxy-
CAS No: 170012-85-8 Catalog No: AG007907 MDL No:
Product Description
Catalog Number:
AG007907
Chemical Name:
3-Isoxazolidinone, 5-methoxy-
CAS Number:
170012-85-8
Molecular Formula:
C4H7NO3
Molecular Weight:
117.1033
IUPAC Name:
5-methoxy-1,2-oxazolidin-3-one
InChI:
InChI=1S/C4H7NO3/c1-7-4-2-3(6)5-8-4/h4H,2H2,1H3,(H,5,6)
InChI Key:
SVANCIXQPULFNT-UHFFFAOYSA-N
SMILES:
COC1CC(=O)NO1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
117.104g/mol
Monoisotopic Mass:
117.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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