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204757-66-4 | 4,7-Methano-1H-inden-1-one, 3a,4,7,7a-tetrahydro-2-phenyl-
CAS No: 204757-66-4 Catalog No: AG0029OU MDL No:
Product Description
Catalog Number:
AG0029OU
Chemical Name:
4,7-Methano-1H-inden-1-one, 3a,4,7,7a-tetrahydro-2-phenyl-
CAS Number:
204757-66-4
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
4-phenyltricyclo[5.2.1.02,6]deca-4,8-dien-3-one
InChI:
InChI=1S/C16H14O/c17-16-14(10-4-2-1-3-5-10)9-13-11-6-7-12(8-11)15(13)16/h1-7,9,11-13,15H,8H2
InChI Key:
KDWMMOJCADYEKA-UHFFFAOYSA-N
SMILES:
O=C1C2C3C=CC(C2C=C1c1ccccc1)C3
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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