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124806-80-0 | 2,4-Heptanedione, 1-methoxy-
CAS No: 124806-80-0 Catalog No: AG000MRP MDL No:
Product Description
Catalog Number:
AG000MRP
Chemical Name:
2,4-Heptanedione, 1-methoxy-
CAS Number:
124806-80-0
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
1-methoxyheptane-2,4-dione
InChI:
InChI=1S/C8H14O3/c1-3-4-7(9)5-8(10)6-11-2/h3-6H2,1-2H3
InChI Key:
UAHFPVQCBBJIEI-UHFFFAOYSA-N
SMILES:
CCCC(=O)CC(=O)COC
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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