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Home > Other Building Blocks > 114592-81-3
114592-81-3 | 1,3-Dioxan-4-one, 2-ethoxy-6-ethyl-2-methyl-
CAS No: 114592-81-3 Catalog No: AG000ERJ MDL No:
Product Description
Catalog Number:
AG000ERJ
Chemical Name:
1,3-Dioxan-4-one, 2-ethoxy-6-ethyl-2-methyl-
CAS Number:
114592-81-3
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
2-ethoxy-6-ethyl-2-methyl-1,3-dioxan-4-one
InChI:
InChI=1S/C9H16O4/c1-4-7-6-8(10)13-9(3,12-7)11-5-2/h7H,4-6H2,1-3H3
InChI Key:
KPSRGYFRPFLSQX-UHFFFAOYSA-N
SMILES:
CCOC1(C)OC(CC)CC(=O)O1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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