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144161-43-3 | 2H-Oxecin-2,4(3H)-dione, 5,6,9,10-tetrahydro-6-hydroxy-10-methyl-
CAS No: 144161-43-3 Catalog No: AG001J1M MDL No:
Product Description
Catalog Number:
AG001J1M
Chemical Name:
2H-Oxecin-2,4(3H)-dione, 5,6,9,10-tetrahydro-6-hydroxy-10-methyl-
CAS Number:
144161-43-3
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
IUPAC Name:
6-hydroxy-2-methyl-2,3,6,7-tetrahydrooxecine-8,10-dione
InChI:
InChI=1S/C10H14O4/c1-7-3-2-4-8(11)5-9(12)6-10(13)14-7/h2,4,7-8,11H,3,5-6H2,1H3
InChI Key:
YRYGUSBXGHCZEK-UHFFFAOYSA-N
SMILES:
OC1C=CCC(C)OC(=O)CC(=O)C1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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