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15379-23-4 | 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-methylpropanal
CAS No: 15379-23-4 Catalog No: AG01BE6M MDL No:MFCD09894551
Product Description
Catalog Number:
AG01BE6M
Chemical Name:
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-methylpropanal
CAS Number:
15379-23-4
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD09894551
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)-2-methylpropanal
InChI:
InChI=1S/C12H11NO3/c1-12(2,7-14)13-10(15)8-5-3-4-6-9(8)11(13)16/h3-7H,1-2H3
InChI Key:
ZBVRCGDUMGTSMC-UHFFFAOYSA-N
SMILES:
O=CC(N1C(=O)c2c(C1=O)cccc2)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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