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20917-92-4 | 2,7(1H,3H)-Naphthalenedione, hexahydro-, cis-
CAS No: 20917-92-4 Catalog No: AG002K2R MDL No:
Product Description
Catalog Number:
AG002K2R
Chemical Name:
2,7(1H,3H)-Naphthalenedione, hexahydro-, cis-
CAS Number:
20917-92-4
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
1,3,4,4a,5,6,8,8a-octahydronaphthalene-2,7-dione
InChI:
InChI=1S/C10H14O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h7-8H,1-6H2
InChI Key:
DOMMDPHTJGBKEL-UHFFFAOYSA-N
SMILES:
O=C1CC[C@H]2[C@@H](C1)CC(=O)CC2
Properties
Complexity:
198
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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