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13030-94-9 | 2,7-Oxecanedione, 5-methyl-
CAS No: 13030-94-9 Catalog No: AG000U9G MDL No:
Product Description
Catalog Number:
AG000U9G
Chemical Name:
2,7-Oxecanedione, 5-methyl-
CAS Number:
13030-94-9
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
5-methyloxecane-2,7-dione
InChI:
InChI=1S/C10H16O3/c1-8-4-5-10(12)13-6-2-3-9(11)7-8/h8H,2-7H2,1H3
InChI Key:
BBYHXLMEGFYDTP-UHFFFAOYSA-N
SMILES:
O=C1OCCCC(=O)CC(CC1)C
NSC Number:
106087
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
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