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115029-14-6 | 2H-Isoindole-2-propanoic acid, 1,3-dihydro-1,3-dioxo-, butyl ester
CAS No: 115029-14-6 Catalog No: AG000FR0 MDL No:
Product Description
Catalog Number:
AG000FR0
Chemical Name:
2H-Isoindole-2-propanoic acid, 1,3-dihydro-1,3-dioxo-, butyl ester
CAS Number:
115029-14-6
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
IUPAC Name:
butyl 3-(1,3-dioxoisoindol-2-yl)propanoate
InChI:
InChI=1S/C15H17NO4/c1-2-3-10-20-13(17)8-9-16-14(18)11-6-4-5-7-12(11)15(16)19/h4-7H,2-3,8-10H2,1H3
InChI Key:
MOPJIRGJLITVHW-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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