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86827-66-9 | 5-METHYLCHRYSENE-1,2-DIONE
CAS No: 86827-66-9 Catalog No: AG004MHQ MDL No:
Product Description
Catalog Number:
AG004MHQ
Chemical Name:
5-METHYLCHRYSENE-1,2-DIONE
CAS Number:
86827-66-9
Molecular Formula:
C19H12O2
Molecular Weight:
272.2974
IUPAC Name:
5-methylchrysene-1,2-dione
InChI:
InChI=1S/C19H12O2/c1-11-10-12-4-2-3-5-13(12)14-6-7-16-15(18(11)14)8-9-17(20)19(16)21/h2-10H,1H3
InChI Key:
XNSVJANXWKEDCJ-UHFFFAOYSA-N
SMILES:
O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.303g/mol
Monoisotopic Mass:
272.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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