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265136-65-0 | 2-Butenoic acid, 3-amino-4-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]-, ethyl ester
CAS No: 265136-65-0 Catalog No: AG002TJF MDL No:
Product Description
Catalog Number:
AG002TJF
Chemical Name:
2-Butenoic acid, 3-amino-4-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]-, ethyl ester
CAS Number:
265136-65-0
Molecular Formula:
C16H18N2O5
Molecular Weight:
318.3245
IUPAC Name:
ethyl (Z)-3-amino-4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]but-2-enoate
InChI:
InChI=1S/C16H18N2O5/c1-2-23-14(19)9-11(17)10-22-8-7-18-15(20)12-5-3-4-6-13(12)16(18)21/h3-6,9H,2,7-8,10,17H2,1H3/b11-9-
InChI Key:
OEBFVKDPQVFAPH-LUAWRHEFSA-N
SMILES:
CCOC(=O)C=C(COCCN1C(=O)c2c(C1=O)cccc2)N
EC Number:
700-069-3
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
318.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.329g/mol
Monoisotopic Mass:
318.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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