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17862-45-2 | 9H-Xanthen-9-one, 3-methoxy-4-(4-morpholinylmethyl)-
CAS No: 17862-45-2 Catalog No: AG002673 MDL No:
Product Description
Catalog Number:
AG002673
Chemical Name:
9H-Xanthen-9-one, 3-methoxy-4-(4-morpholinylmethyl)-
CAS Number:
17862-45-2
Molecular Formula:
C19H19NO4
Molecular Weight:
325.3585
IUPAC Name:
3-methoxy-4-(morpholin-4-ylmethyl)xanthen-9-one
InChI:
InChI=1S/C19H19NO4/c1-22-16-7-6-14-18(21)13-4-2-3-5-17(13)24-19(14)15(16)12-20-8-10-23-11-9-20/h2-7H,8-12H2,1H3
InChI Key:
AKBOBQFYCLHMTP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1CN1CCOCC1)oc1c(c2=O)cccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.364g/mol
Monoisotopic Mass:
325.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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