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85920-63-4 | 5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CAS No: 85920-63-4 Catalog No: AG004QMK MDL No:MFCD18072503
Product Description
Catalog Number:
AG004QMK
Chemical Name:
5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CAS Number:
85920-63-4
Molecular Formula:
C8H10O5
Molecular Weight:
186.1620
MDL Number:
MFCD18072503
IUPAC Name:
5-(1-hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C8H10O5/c1-4(9)5-6(10)12-8(2,3)13-7(5)11/h9H,1-3H3
InChI Key:
WIIDJHLROTYVRD-UHFFFAOYSA-N
SMILES:
CC(=C1C(=O)OC(OC1=O)(C)C)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.163g/mol
Monoisotopic Mass:
186.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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