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1363553-49-4 | 2H-Isoindole-2-acetic acid, 1,3-dihydro-5,6-dimethoxy-α-[(4-methylphenyl)methyl]-, methyl ester
CAS No: 1363553-49-4 Catalog No: AG0011RU MDL No:
Product Description
Catalog Number:
AG0011RU
Chemical Name:
2H-Isoindole-2-acetic acid, 1,3-dihydro-5,6-dimethoxy-α-[(4-methylphenyl)methyl]-, methyl ester
CAS Number:
1363553-49-4
Molecular Formula:
C21H25NO4
Molecular Weight:
355.4275
IUPAC Name:
methyl 2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-(4-methylphenyl)propanoate
InChI:
InChI=1S/C21H25NO4/c1-14-5-7-15(8-6-14)9-18(21(23)26-4)22-12-16-10-19(24-2)20(25-3)11-17(16)13-22/h5-8,10-11,18H,9,12-13H2,1-4H3
InChI Key:
GIQNSNVPJDRFKR-UHFFFAOYSA-N
SMILES:
COC(=O)C(N1Cc2c(C1)cc(c(c2)OC)OC)Cc1ccc(cc1)C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.178g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.434g/mol
Monoisotopic Mass:
355.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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