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872806-40-1 | 5,5-Dimethyl-2,4-dioxo-3-oxazolidineacetic acid
CAS No: 872806-40-1 Catalog No: AG003AJS MDL No:
Product Description
Catalog Number:
AG003AJS
Chemical Name:
5,5-Dimethyl-2,4-dioxo-3-oxazolidineacetic acid
CAS Number:
872806-40-1
Molecular Formula:
C7H9NO5
Molecular Weight:
187.1501
IUPAC Name:
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetic acid
InChI:
InChI=1S/C7H9NO5/c1-7(2)5(11)8(3-4(9)10)6(12)13-7/h3H2,1-2H3,(H,9,10)
InChI Key:
YCNHBQAWUBROPD-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)OC(C1=O)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.151g/mol
Monoisotopic Mass:
187.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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