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126121-42-4 | 2-Propenoic acid, 3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl ester
CAS No: 126121-42-4 Catalog No: AG000RO3 MDL No:
Product Description
Catalog Number:
AG000RO3
Chemical Name:
2-Propenoic acid, 3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl ester
CAS Number:
126121-42-4
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
3-(1,3-dioxoisoindol-2-yl)butyl prop-2-enoate
InChI:
InChI=1S/C15H15NO4/c1-3-13(17)20-9-8-10(2)16-14(18)11-6-4-5-7-12(11)15(16)19/h3-7,10H,1,8-9H2,2H3
InChI Key:
ODUPRNUPPRRYBK-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCC(N1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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