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100754-69-6 | 2-Propen-1-one, 2-(4-morpholinylmethyl)-1-(2,3,4-trimethoxyphenyl)-
CAS No: 100754-69-6 Catalog No: AG0002T1 MDL No:
Product Description
Catalog Number:
AG0002T1
Chemical Name:
2-Propen-1-one, 2-(4-morpholinylmethyl)-1-(2,3,4-trimethoxyphenyl)-
CAS Number:
100754-69-6
Molecular Formula:
C17H23NO5
Molecular Weight:
321.3682
IUPAC Name:
2-(morpholin-4-ylmethyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H23NO5/c1-12(11-18-7-9-23-10-8-18)15(19)13-5-6-14(20-2)17(22-4)16(13)21-3/h5-6H,1,7-11H2,2-4H3
InChI Key:
FHJOVTQCMWAEMI-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1OC)OC)C(=O)C(=C)CN1CCOCC1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.373g/mol
Monoisotopic Mass:
321.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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