Home Other Building Blocks 3-(5-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

3-(5-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

CAS No.:
346704-27-6
Catalog Number:
AG019P94
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
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Product Description
Catalog Number:
AG019P94
Chemical Name:
3-(5-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
CAS Number:
346704-27-6
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD01655160
IUPAC Name:
3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid
InChI:
InChI=1S/C12H11NO4/c1-7-2-3-8-9(6-7)12(17)13(11(8)16)5-4-10(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)
InChI Key:
AWBOQSIIXFLDPI-UHFFFAOYSA-N
SMILES:
OC(=O)CCN1C(=O)c2c(C1=O)cc(cc2)C
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties