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Home > Indoles and Oxindole > 88332-09-6
88332-09-6 | 1H-Isoindole-1,3(2H)-dione, 2-[3-[(acetyloxy)imino]butyl]-
CAS No: 88332-09-6 Catalog No: AG0047BW MDL No:
Product Description
Catalog Number:
AG0047BW
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-[(acetyloxy)imino]butyl]-
CAS Number:
88332-09-6
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
IUPAC Name:
[4-(1,3-dioxoisoindol-2-yl)butan-2-ylideneamino] acetate
InChI:
InChI=1S/C14H14N2O4/c1-9(15-20-10(2)17)7-8-16-13(18)11-5-3-4-6-12(11)14(16)19/h3-6H,7-8H2,1-2H3
InChI Key:
QMCOWPSFQGYCEP-UHFFFAOYSA-N
SMILES:
CC(=O)ON=C(CCN1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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