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17854-58-9 | 9H-Xanthen-9-one, 4-[(diethylamino)methyl]-3-methoxy-
CAS No: 17854-58-9 Catalog No: AG00264R MDL No:
Product Description
Catalog Number:
AG00264R
Chemical Name:
9H-Xanthen-9-one, 4-[(diethylamino)methyl]-3-methoxy-
CAS Number:
17854-58-9
Molecular Formula:
C19H21NO3
Molecular Weight:
311.3749
IUPAC Name:
4-(diethylaminomethyl)-3-methoxyxanthen-9-one
InChI:
InChI=1S/C19H21NO3/c1-4-20(5-2)12-15-16(22-3)11-10-14-18(21)13-8-6-7-9-17(13)23-19(14)15/h6-11H,4-5,12H2,1-3H3
InChI Key:
QOWVCERIRVFDDG-UHFFFAOYSA-N
SMILES:
CCN(Cc1c(OC)ccc2c1oc1ccccc1c2=O)CC
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.381g/mol
Monoisotopic Mass:
311.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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