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115149-46-7 | Benzoic acid, 2-[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)propoxy]-, methyl ester
CAS No: 115149-46-7 Catalog No: AG000GC3 MDL No:
Product Description
Catalog Number:
AG000GC3
Chemical Name:
Benzoic acid, 2-[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)propoxy]-, methyl ester
CAS Number:
115149-46-7
Molecular Formula:
C19H17NO5
Molecular Weight:
339.3420
IUPAC Name:
methyl 2-[3-(1,3-dioxoisoindol-2-yl)propoxy]benzoate
InChI:
InChI=1S/C19H17NO5/c1-24-19(23)15-9-4-5-10-16(15)25-12-6-11-20-17(21)13-7-2-3-8-14(13)18(20)22/h2-5,7-10H,6,11-12H2,1H3
InChI Key:
HKZSVOHHOCETSI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1OCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.347g/mol
Monoisotopic Mass:
339.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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