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13913-82-1 | 1,5-Naphthalenedione, octahydro-
CAS No: 13913-82-1 Catalog No: AG001ADF MDL No:MFCD00101258
Product Description
Catalog Number:
AG001ADF
Chemical Name:
1,5-Naphthalenedione, octahydro-
CAS Number:
13913-82-1
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD00101258
IUPAC Name:
2,3,4,4a,6,7,8,8a-octahydronaphthalene-1,5-dione
InChI:
InChI=1S/C10H14O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h7-8H,1-6H2
InChI Key:
MKIFFVCLZZRCQL-UHFFFAOYSA-N
SMILES:
O=C1CCCC2C1CCCC2=O
NSC Number:
142689
Properties
Complexity:
196
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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