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55484-53-2 | 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl prop-2-enoate
CAS No: 55484-53-2 Catalog No: AG01B8FH MDL No:MFCD00085283
Product Description
Catalog Number:
AG01B8FH
Chemical Name:
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl prop-2-enoate
CAS Number:
55484-53-2
Molecular Formula:
C11H7NO4
Molecular Weight:
217.1776
MDL Number:
MFCD00085283
IUPAC Name:
(1,3-dioxoisoindol-2-yl) prop-2-enoate
InChI:
InChI=1S/C11H7NO4/c1-2-9(13)16-12-10(14)7-5-3-4-6-8(7)11(12)15/h2-6H,1H2
InChI Key:
YOVNLDXKLKJVIV-UHFFFAOYSA-N
SMILES:
C=CC(=O)ON1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.18g/mol
Monoisotopic Mass:
217.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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