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88053-13-8

88053-13-8 | 1-(Piperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

CAS No: 88053-13-8 Catalog No: AG004FO7 MDL No:MFCD11584766

Product Description

Catalog Number:
AG004FO7
Chemical Name:
1-(Piperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CAS Number:
88053-13-8
Molecular Formula:
C16H22N2O4
Molecular Weight:
306.3569
MDL Number:
MFCD11584766
IUPAC Name:
1-piperazin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H22N2O4/c1-20-13-10-12(11-14(21-2)16(13)22-3)4-5-15(19)18-8-6-17-7-9-18/h4-5,10-11,17H,6-9H2,1-3H3
InChI Key:
ZQXXBLADSLNAAT-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)N2CCNCC2)cc(c1OC)OC

Properties

Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.158g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
306.362g/mol
Monoisotopic Mass:
306.158g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.1  

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