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127791-77-9 | 3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-2-methyl-
CAS No: 127791-77-9 Catalog No: AG000XF9 MDL No:
Product Description
Catalog Number:
AG000XF9
Chemical Name:
3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-2-methyl-
CAS Number:
127791-77-9
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
2-methyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione
InChI:
InChI=1S/C15H14O2/c1-9-8-11-7-6-10-4-2-3-5-12(10)13(11)15(17)14(9)16/h6-8H,2-5H2,1H3
InChI Key:
GOZXOCWRSDXOMM-UHFFFAOYSA-N
SMILES:
CC1=Cc2ccc3c(c2C(=O)C1=O)CCCC3
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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