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100144-91-0 | 2H-Pyran-2,6(3H)-dione, 3,5-diethyldihydro-
CAS No: 100144-91-0 Catalog No: AG00013K MDL No:
Product Description
Catalog Number:
AG00013K
Chemical Name:
2H-Pyran-2,6(3H)-dione, 3,5-diethyldihydro-
CAS Number:
100144-91-0
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
3,5-diethyloxane-2,6-dione
InChI:
InChI=1S/C9H14O3/c1-3-6-5-7(4-2)9(11)12-8(6)10/h6-7H,3-5H2,1-2H3
InChI Key:
PUMIRPCJLHGLOT-UHFFFAOYSA-N
SMILES:
CCC1CC(CC)C(=O)OC1=O
Properties
Complexity:
178
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:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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