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Home > Other Heterocycles > 21170-10-5
21170-10-5 | cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione
CAS No: 21170-10-5 Catalog No: AG003OXM MDL No:MFCD00003772
Product Description
Catalog Number:
AG003OXM
Chemical Name:
cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione
CAS Number:
21170-10-5
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD00003772
IUPAC Name:
3a,6a-dimethyl-1,3,4,6-tetrahydropentalene-2,5-dione
InChI:
InChI=1S/C10H14O2/c1-9-3-7(11)5-10(9,2)6-8(12)4-9/h3-6H2,1-2H3
InChI Key:
KGZWVKASYOPUET-UHFFFAOYSA-N
SMILES:
O=C1C[C@]2([C@](C1)(C)CC(=O)C2)C
EC Number:
244-255-8
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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