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101256-79-5 | 1-Propanone, 3-(4-morpholinyl)-1-(3,4,5-trimethoxyphenyl)-
CAS No: 101256-79-5 Catalog No: AG000429 MDL No:
Product Description
Catalog Number:
AG000429
Chemical Name:
1-Propanone, 3-(4-morpholinyl)-1-(3,4,5-trimethoxyphenyl)-
CAS Number:
101256-79-5
Molecular Formula:
C16H23NO5
Molecular Weight:
309.3575
IUPAC Name:
3-morpholin-4-yl-1-(3,4,5-trimethoxyphenyl)propan-1-one
InChI:
InChI=1S/C16H23NO5/c1-19-14-10-12(11-15(20-2)16(14)21-3)13(18)4-5-17-6-8-22-9-7-17/h10-11H,4-9H2,1-3H3
InChI Key:
HFEWVLHTQPVLCA-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)CCN1CCOCC1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.362g/mol
Monoisotopic Mass:
309.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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