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128766-63-2 | 4H-1,3-Dioxin-4-one, 6-(hydroxymethyl)-2,2-dimethyl-
CAS No: 128766-63-2 Catalog No: AG000YDY MDL No:
Product Description
Catalog Number:
AG000YDY
Chemical Name:
4H-1,3-Dioxin-4-one, 6-(hydroxymethyl)-2,2-dimethyl-
CAS Number:
128766-63-2
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
IUPAC Name:
6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxin-4-one
InChI:
InChI=1S/C7H10O4/c1-7(2)10-5(4-8)3-6(9)11-7/h3,8H,4H2,1-2H3
InChI Key:
KVCGLPKGMWWEMC-UHFFFAOYSA-N
SMILES:
OCC1=CC(=O)OC(O1)(C)C
Properties
Complexity:
205
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:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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