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Home Carboxys 1-Oxo-1,2-dihydro-4-isoquinolinecarboxylic acid

1-Oxo-1,2-dihydro-4-isoquinolinecarboxylic acid

CAS No.:
34014-51-2
Catalog Number:
AG00C0D7
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
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:
AG00C0D7
Chemical Name:
1-Oxo-1,2-dihydro-4-isoquinolinecarboxylic acid
CAS Number:
34014-51-2
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD00140316
IUPAC Name:
1-oxo-2H-isoquinoline-4-carboxylic acid
InChI:
InChI=1S/C10H7NO3/c12-9-7-4-2-1-3-6(7)8(5-11-9)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChI Key:
IMEDZEDITFIMAK-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c(=O)c2c1cccc2
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties