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116896-56-1 | 4,7-Methano-1H-inden-1-one, 3a,4,5,6,7,7a-hexahydro-2-phenyl-
CAS No: 116896-56-1 Catalog No: AG000DCU MDL No:
Product Description
Catalog Number:
AG000DCU
Chemical Name:
4,7-Methano-1H-inden-1-one, 3a,4,5,6,7,7a-hexahydro-2-phenyl-
CAS Number:
116896-56-1
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
IUPAC Name:
4-phenyltricyclo[5.2.1.02,6]dec-4-en-3-one
InChI:
InChI=1S/C16H16O/c17-16-14(10-4-2-1-3-5-10)9-13-11-6-7-12(8-11)15(13)16/h1-5,9,11-13,15H,6-8H2
InChI Key:
XTLYJISQRMJTKG-UHFFFAOYSA-N
SMILES:
O=C1C2C3CCC(C2C=C1c1ccccc1)C3
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.303g/mol
Monoisotopic Mass:
224.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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