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87451-48-7 | 1,5-Methano-4H-inden-4-one, octahydro-
CAS No: 87451-48-7 Catalog No: AG004KBU MDL No:
Product Description
Catalog Number:
AG004KBU
Chemical Name:
1,5-Methano-4H-inden-4-one, octahydro-
CAS Number:
87451-48-7
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
tricyclo[4.3.1.03,7]decan-2-one
InChI:
InChI=1S/C10H14O/c11-10-7-2-3-8-6(5-7)1-4-9(8)10/h6-9H,1-5H2
InChI Key:
HOAQFJFDQZOSQC-UHFFFAOYSA-N
SMILES:
O=C1C2CCC3C1CCC3C2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Unusual regioselective intramolecular Diels-Alder reaction forming tricyclo[4.3.1.0(3,7)]decane system. | The Journal of organic chemistry 20020503 |
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