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Home Other Building Blocks 3-(1,3-Dioxo-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid

3-(1,3-Dioxo-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid

CAS No.:
75513-35-8
Catalog Number:
AG003HZ7
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$38
- +
1g
95%
In Stock USA
United States
$98
- +
Product Description
Catalog Number:
AG003HZ7
Chemical Name:
3-(1,3-Dioxo-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid
CAS Number:
75513-35-8
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD07310140
IUPAC Name:
3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid
InChI:
InChI=1S/C12H11NO4/c14-10-7-8-3-1-2-4-9(8)12(17)13(10)6-5-11(15)16/h1-4H,5-7H2,(H,15,16)
InChI Key:
ORZUYKZVLRIJEB-UHFFFAOYSA-N
SMILES:
OC(=O)CCN1C(=O)Cc2c(C1=O)cccc2
Properties
Complexity:
352  
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:
0.3  
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