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116896-57-2 | 4,7-Methano-1H-inden-1-one, 3a,4,5,6,7,7a-hexahydro-2-methyl-
CAS No: 116896-57-2 Catalog No: AG000DCT MDL No:MFCD24697038
Product Description
Catalog Number:
AG000DCT
Chemical Name:
4,7-Methano-1H-inden-1-one, 3a,4,5,6,7,7a-hexahydro-2-methyl-
CAS Number:
116896-57-2
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD24697038
IUPAC Name:
4-methyltricyclo[5.2.1.02,6]dec-4-en-3-one
InChI:
InChI=1S/C11H14O/c1-6-4-9-7-2-3-8(5-7)10(9)11(6)12/h4,7-10H,2-3,5H2,1H3
InChI Key:
PKWXQQNDNFXJCA-UHFFFAOYSA-N
SMILES:
O=C1C(=CC2C1C1CCC2C1)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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