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75242-65-8 | 2-Butenal, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2-methyl-, (E)-
CAS No: 75242-65-8 Catalog No: AG005MSF MDL No:
Product Description
Catalog Number:
AG005MSF
Chemical Name:
2-Butenal, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2-methyl-, (E)-
CAS Number:
75242-65-8
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
4-(1,3-dioxoisoindol-2-yl)-2-methylbut-2-enal
InChI:
InChI=1S/C13H11NO3/c1-9(8-15)6-7-14-12(16)10-4-2-3-5-11(10)13(14)17/h2-6,8H,7H2,1H3
InChI Key:
ZYECNFWPNSEZLD-UHFFFAOYSA-N
SMILES:
O=C/C(=C/CN1C(=O)c2c(C1=O)cccc2)/C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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