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Home Other Building Blocks 2H-Isoindole-2-pentanoic acid, 1,3-dihydro-1,3-dioxo-

2H-Isoindole-2-pentanoic acid, 1,3-dihydro-1,3-dioxo-

CAS No.:
1147-76-8
Catalog Number:
AG000F28
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
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Product Description
Catalog Number:
AG000F28
Chemical Name:
2H-Isoindole-2-pentanoic acid, 1,3-dihydro-1,3-dioxo-
CAS Number:
1147-76-8
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD00233498
IUPAC Name:
5-(1,3-dioxoisoindol-2-yl)pentanoic acid
InChI:
InChI=1S/C13H13NO4/c15-11(16)7-3-4-8-14-12(17)9-5-1-2-6-10(9)13(14)18/h1-2,5-6H,3-4,7-8H2,(H,15,16)
InChI Key:
VVYAIXIPOVUMQD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties