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Home Carboxys 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

CAS No.:
63586-82-3
Catalog Number:
AG00EEEC
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00EEEC
Chemical Name:
1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CAS Number:
63586-82-3
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD00483631
IUPAC Name:
1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H9NO3/c12-9-7-4-2-1-3-6(7)5-8(11-9)10(13)14/h1-4,8H,5H2,(H,11,12)(H,13,14)
InChI Key:
YXSGIZSINDRUBG-UHFFFAOYSA-N
SMILES:
OC(=O)C1NC(=O)c2c(C1)cccc2
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
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