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144712-26-5 | 2,4-Hexanedione, 1-methoxy-5-methyl-
CAS No: 144712-26-5 Catalog No: AG001K34 MDL No:MFCD22578620
Product Description
Catalog Number:
AG001K34
Chemical Name:
2,4-Hexanedione, 1-methoxy-5-methyl-
CAS Number:
144712-26-5
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD22578620
IUPAC Name:
1-methoxy-5-methylhexane-2,4-dione
InChI:
InChI=1S/C8H14O3/c1-6(2)8(10)4-7(9)5-11-3/h6H,4-5H2,1-3H3
InChI Key:
TVRWWTMMBGBRFG-UHFFFAOYSA-N
SMILES:
COCC(=O)CC(=O)C(C)C
Properties
Complexity:
149
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:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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