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164733-28-2 | 4H-2,4a-Methanonaphthalene-3,7-dione, 1,2-dihydro-1,1,5-trimethyl-
CAS No: 164733-28-2 Catalog No: AG001V28 MDL No:
Product Description
Catalog Number:
AG001V28
Chemical Name:
4H-2,4a-Methanonaphthalene-3,7-dione, 1,2-dihydro-1,1,5-trimethyl-
CAS Number:
164733-28-2
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
2,7,7-trimethyltricyclo[6.2.1.01,6]undeca-2,5-diene-4,9-dione
InChI:
InChI=1S/C14H16O2/c1-8-4-9(15)5-12-13(2,3)10-6-14(8,12)7-11(10)16/h4-5,10H,6-7H2,1-3H3
InChI Key:
ZAMWIZXRCHNHSB-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)C23C(=C1)C(C)(C)C(C3)C(=O)C2
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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