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116416-73-0 | 1H-Indene-4,6(2H,3aH)-dione, tetrahydro-
CAS No: 116416-73-0 Catalog No: AG000CFN MDL No:
Product Description
Catalog Number:
AG000CFN
Chemical Name:
1H-Indene-4,6(2H,3aH)-dione, tetrahydro-
CAS Number:
116416-73-0
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
1,2,3,3a,7,7a-hexahydroindene-4,6-dione
InChI:
InChI=1S/C9H12O2/c10-7-4-6-2-1-3-8(6)9(11)5-7/h6,8H,1-5H2
InChI Key:
ZRUZXXSVTYADQV-UHFFFAOYSA-N
SMILES:
O=C1CC2CCCC2C(=O)C1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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