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Home > Other Building Blocks > 89111-47-7
89111-47-7 | 2H-2,4a-Ethanophenanthrene-3,9(1H,4H)-dione, 7-methoxy-
CAS No: 89111-47-7 Catalog No: AG003YFK MDL No:
Product Description
Catalog Number:
AG003YFK
Chemical Name:
2H-2,4a-Ethanophenanthrene-3,9(1H,4H)-dione, 7-methoxy-
CAS Number:
89111-47-7
Molecular Formula:
C17H16O3
Molecular Weight:
268.3071
IUPAC Name:
5-methoxytetracyclo[10.2.2.01,10.02,7]hexadeca-2(7),3,5,9-tetraene-8,13-dione
InChI:
InChI=1S/C17H16O3/c1-20-12-2-3-14-13(8-12)15(18)7-11-6-10-4-5-17(11,14)9-16(10)19/h2-3,7-8,10H,4-6,9H2,1H3
InChI Key:
YVNBLBOVCUWSSU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)C=C1C32CCC(C(=O)C3)C1
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.312g/mol
Monoisotopic Mass:
268.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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