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100840-52-6 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(3,5-dimethoxyphenoxy)propyl]-
CAS No: 100840-52-6 Catalog No: AG00H9CH MDL No:
Product Description
Catalog Number:
AG00H9CH
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(3,5-dimethoxyphenoxy)propyl]-
CAS Number:
100840-52-6
Molecular Formula:
C19H19NO5
Molecular Weight:
341.3579
IUPAC Name:
2-[3-(3,5-dimethoxyphenoxy)propyl]isoindole-1,3-dione
InChI:
InChI=1S/C19H19NO5/c1-23-13-10-14(24-2)12-15(11-13)25-9-5-8-20-18(21)16-6-3-4-7-17(16)19(20)22/h3-4,6-7,10-12H,5,8-9H2,1-2H3
InChI Key:
ZDPQFYCLPSZWEM-UHFFFAOYSA-N
SMILES:
COc1cc(OCCCN2C(=O)c3c(C2=O)cccc3)cc(c1)OC
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.363g/mol
Monoisotopic Mass:
341.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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