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13030-92-7 | 2,7-Oxecanedione
CAS No: 13030-92-7 Catalog No: AG000U9H MDL No:
Product Description
Catalog Number:
AG000U9H
Chemical Name:
2,7-Oxecanedione
CAS Number:
13030-92-7
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
oxecane-2,7-dione
InChI:
InChI=1S/C9H14O3/c10-8-4-1-2-6-9(11)12-7-3-5-8/h1-7H2
InChI Key:
XVJSPKCFYMUFRT-UHFFFAOYSA-N
SMILES:
O=C1CCCCC(=O)OCCC1
NSC Number:
106088
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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