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16121-05-4 | 2,7-Oxecanedione, 8-methyl-
CAS No: 16121-05-4 Catalog No: AG001S9Y MDL No:
Product Description
Catalog Number:
AG001S9Y
Chemical Name:
2,7-Oxecanedione, 8-methyl-
CAS Number:
16121-05-4
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
8-methyloxecane-2,7-dione
InChI:
InChI=1S/C10H16O3/c1-8-6-7-13-10(12)5-3-2-4-9(8)11/h8H,2-7H2,1H3
InChI Key:
CWAINCBOQQCYQY-UHFFFAOYSA-N
SMILES:
O=C1CCCCC(=O)C(CCO1)C
NSC Number:
106095
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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