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851015-57-1 | 1H-Isoindole-1,3(2H)-dione, 2-[4-(dimethylamino)-2-oxo-3-butenyl]-
CAS No: 851015-57-1 Catalog No: AG004XJY MDL No:
Product Description
Catalog Number:
AG004XJY
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[4-(dimethylamino)-2-oxo-3-butenyl]-
CAS Number:
851015-57-1
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
IUPAC Name:
2-[4-(dimethylamino)-2-oxobut-3-enyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H14N2O3/c1-15(2)8-7-10(17)9-16-13(18)11-5-3-4-6-12(11)14(16)19/h3-8H,9H2,1-2H3
InChI Key:
NWLNGIIZVRBQSS-UHFFFAOYSA-N
SMILES:
CN(C=CC(=O)CN1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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