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16385-55-0 | 1H-Indene-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-
CAS No: 16385-55-0 Catalog No: AG001UGB MDL No:
Product Description
Catalog Number:
AG001UGB
Chemical Name:
1H-Indene-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-
CAS Number:
16385-55-0
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
3a,4,7,7a-tetrahydroindene-1,3-dione
InChI:
InChI=1S/C9H10O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-2,6-7H,3-5H2
InChI Key:
DCLCESIIRIWAOV-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)C2C1CC=CC2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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