Home Carboxys 6-ethyl-2-methyl-4-quinolinecarboxylic acid hydrate

6-ethyl-2-methyl-4-quinolinecarboxylic acid hydrate

CAS No.:
1609404-19-4
Catalog Number:
AG00J111
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
10g
95%
In Stock USA
United States
$187
- +
Product Description
Catalog Number:
AG00J111
Chemical Name:
6-ethyl-2-methyl-4-quinolinecarboxylic acid hydrate
CAS Number:
1609404-19-4
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD03946399
IUPAC Name:
6-ethyl-2-methylquinoline-4-carboxylic acid;hydrate
InChI:
InChI=1S/C13H13NO2.H2O/c1-3-9-4-5-12-10(7-9)11(13(15)16)6-8(2)14-12;/h4-7H,3H2,1-2H3,(H,15,16);1H2
InChI Key:
BRNXXRFHYKZURH-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)c(cc(n2)C)C(=O)O.O
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties