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29430-91-9 | 3-Hexanone, 6,6-dimethoxy-
CAS No: 29430-91-9 Catalog No: AG002YDP MDL No:
Product Description
Catalog Number:
AG002YDP
Chemical Name:
3-Hexanone, 6,6-dimethoxy-
CAS Number:
29430-91-9
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
6,6-dimethoxyhexan-3-one
InChI:
InChI=1S/C8H16O3/c1-4-7(9)5-6-8(10-2)11-3/h8H,4-6H2,1-3H3
InChI Key:
WFVGPCBVFCRXKP-UHFFFAOYSA-N
SMILES:
COC(CCC(=O)CC)OC
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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