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125350-99-4 | 2-Propenoic acid, 2-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester
CAS No: 125350-99-4 Catalog No: AG000NIS MDL No:
Product Description
Catalog Number:
AG000NIS
Chemical Name:
2-Propenoic acid, 2-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester
CAS Number:
125350-99-4
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)ethyl prop-2-enoate
InChI:
InChI=1S/C13H15NO4/c1-2-11(15)18-8-7-14-12(16)9-5-3-4-6-10(9)13(14)17/h2H,1,3-8H2
InChI Key:
VDPSPUBXLOLDNB-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCN1C(=O)C2=C(C1=O)CCCC2
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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