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81142-14-5 | 2-(2-(1,3-Dioxoisoindolin-2-yl)ethoxy)acetaldehyde
CAS No: 81142-14-5 Catalog No: AG01D909 MDL No:
Product Description
Catalog Number:
AG01D909
Chemical Name:
2-(2-(1,3-Dioxoisoindolin-2-yl)ethoxy)acetaldehyde
CAS Number:
81142-14-5
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]acetaldehyde
InChI:
InChI=1S/C12H11NO4/c14-6-8-17-7-5-13-11(15)9-3-1-2-4-10(9)12(13)16/h1-4,6H,5,7-8H2
InChI Key:
OWDTXQLBYGEXAL-UHFFFAOYSA-N
SMILES:
O=CCOCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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