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6531-35-7 | 2,3-DIMETHYLANTHRAQUINONE
CAS No: 6531-35-7 Catalog No: AG003FK9 MDL No:MFCD00045379
Product Description
Catalog Number:
AG003FK9
Chemical Name:
2,3-DIMETHYLANTHRAQUINONE
CAS Number:
6531-35-7
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
MDL Number:
MFCD00045379
IUPAC Name:
2,3-dimethylanthracene-9,10-dione
InChI:
InChI=1S/C16H12O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-8H,1-2H3
InChI Key:
KIJPZYXCIHZVGP-UHFFFAOYSA-N
SMILES:
O=C1c2cc(C)c(cc2C(=O)c2c1cccc2)C
NSC Number:
76612
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.27g/mol
Monoisotopic Mass:
236.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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