Home Carboxys 3-Isoquinolinecarboxylic acid, hydrate (1:1)

3-Isoquinolinecarboxylic acid, hydrate (1:1)

CAS No.:
203626-75-9
Catalog Number:
AG00291H
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95+%
1 week
United States
$9
- +
1g
95+%
1 week
United States
$21
- +
25g
98%
1 week
United States
$371
- +
Product Description
Catalog Number:
AG00291H
Chemical Name:
3-Isoquinolinecarboxylic acid, hydrate (1:1)
CAS Number:
203626-75-9
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD00167216
IUPAC Name:
isoquinoline-3-carboxylic acid;hydrate
InChI:
InChI=1S/C10H7NO2.H2O/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-6H,(H,12,13);1H2
InChI Key:
IXFLTVWYYQIVRB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc2c(c1)cccc2.O
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
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:
4  
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:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties