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130469-70-4 | 2H-Pyran-2,5(6H)-dione, dihydro-4-hydroxy-6,6-dimethyl-
CAS No: 130469-70-4 Catalog No: AG000UH5 MDL No:
Product Description
Catalog Number:
AG000UH5
Chemical Name:
2H-Pyran-2,5(6H)-dione, dihydro-4-hydroxy-6,6-dimethyl-
CAS Number:
130469-70-4
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
IUPAC Name:
4-hydroxy-6,6-dimethyloxane-2,5-dione
InChI:
InChI=1S/C7H10O4/c1-7(2)6(10)4(8)3-5(9)11-7/h4,8H,3H2,1-2H3
InChI Key:
ICBJVBVKOWSMCS-UHFFFAOYSA-N
SMILES:
O=C1CC(O)C(=O)C(O1)(C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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