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26538-97-6 | 9H-Xanthen-9-one, 4-[(dimethylamino)methyl]-
CAS No: 26538-97-6 Catalog No: AG002TME MDL No:
Product Description
Catalog Number:
AG002TME
Chemical Name:
9H-Xanthen-9-one, 4-[(dimethylamino)methyl]-
CAS Number:
26538-97-6
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
4-[(dimethylamino)methyl]xanthen-9-one
InChI:
InChI=1S/C16H15NO2/c1-17(2)10-11-6-5-8-13-15(18)12-7-3-4-9-14(12)19-16(11)13/h3-9H,10H2,1-2H3
InChI Key:
OBVFCLYRXRAJAB-UHFFFAOYSA-N
SMILES:
CN(Cc1cccc2c1oc1ccccc1c2=O)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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