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55747-45-0 | Ethyl 2-acetyl-5-(1,3-dioxoisoindolin-2-yl)pentanoate
CAS No: 55747-45-0 Catalog No: AG003Q2V MDL No:
Product Description
Catalog Number:
AG003Q2V
Chemical Name:
Ethyl 2-acetyl-5-(1,3-dioxoisoindolin-2-yl)pentanoate
CAS Number:
55747-45-0
Molecular Formula:
C17H19NO5
Molecular Weight:
317.3365
IUPAC Name:
ethyl 2-acetyl-5-(1,3-dioxoisoindol-2-yl)pentanoate
InChI:
InChI=1S/C17H19NO5/c1-3-23-17(22)12(11(2)19)9-6-10-18-15(20)13-7-4-5-8-14(13)16(18)21/h4-5,7-8,12H,3,6,9-10H2,1-2H3
InChI Key:
XDGCOSMBEZEXSN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)CCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.341g/mol
Monoisotopic Mass:
317.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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