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19814-69-8 | 9H-Xanthen-9-one, 3,6-dimethyl-
CAS No: 19814-69-8 Catalog No: AG002BBV MDL No:
Product Description
Catalog Number:
AG002BBV
Chemical Name:
9H-Xanthen-9-one, 3,6-dimethyl-
CAS Number:
19814-69-8
Molecular Formula:
C15H12O2
Molecular Weight:
224.2546
IUPAC Name:
3,6-dimethylxanthen-9-one
InChI:
InChI=1S/C15H12O2/c1-9-3-5-11-13(7-9)17-14-8-10(2)4-6-12(14)15(11)16/h3-8H,1-2H3
InChI Key:
MKURZBYJOSVUHA-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)oc1c(c2=O)ccc(c1)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.259g/mol
Monoisotopic Mass:
224.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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