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127791-78-0

127791-78-0 | 3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-1-methyl-

CAS No: 127791-78-0 Catalog No: AG000XF8 MDL No:

Product Description

Catalog Number:
AG000XF8
Chemical Name:
3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-1-methyl-
CAS Number:
127791-78-0
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
1-methyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione
InChI:
InChI=1S/C15H14O2/c1-9-8-13(16)15(17)14-11(9)7-6-10-4-2-3-5-12(10)14/h6-8H,2-5H2,1H3
InChI Key:
HLVLHKHCAQKXEK-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)c2c(C1=O)c1CCCCc1cc2

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:
2.8  

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