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30780-09-7 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(2,5-dimethoxyphenyl)-1-methylethyl]-
CAS No: 30780-09-7 Catalog No: AG0031A0 MDL No:
Product Description
Catalog Number:
AG0031A0
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(2,5-dimethoxyphenyl)-1-methylethyl]-
CAS Number:
30780-09-7
Molecular Formula:
C19H19NO4
Molecular Weight:
325.3585
IUPAC Name:
2-[1-(2,5-dimethoxyphenyl)propan-2-yl]isoindole-1,3-dione
InChI:
InChI=1S/C19H19NO4/c1-12(10-13-11-14(23-2)8-9-17(13)24-3)20-18(21)15-6-4-5-7-16(15)19(20)22/h4-9,11-12H,10H2,1-3H3
InChI Key:
QRJOIMUUJSFFRM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CC(N1C(=O)c2c(C1=O)cccc2)C)OC
Properties
Complexity:
456
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.364g/mol
Monoisotopic Mass:
325.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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