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Home Carboxys 2,7,8-Trimethyl-4-quinolinecarboxylic acid dihydrate

2,7,8-Trimethyl-4-quinolinecarboxylic acid dihydrate

CAS No.:
1609406-89-4
Catalog Number:
AG00J115
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
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:
AG00J115
Chemical Name:
2,7,8-Trimethyl-4-quinolinecarboxylic acid dihydrate
CAS Number:
1609406-89-4
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD28024644
IUPAC Name:
2,7,8-trimethylquinoline-4-carboxylic acid;dihydrate
InChI:
InChI=1S/C13H13NO2.2H2O/c1-7-4-5-10-11(13(15)16)6-8(2)14-12(10)9(7)3;;/h4-6H,1-3H3,(H,15,16);2*1H2
InChI Key:
BEVKKIKYQQCMPJ-UHFFFAOYSA-N
SMILES:
Cc1cc(C(=O)O)c2c(n1)c(C)c(cc2)C.O.O
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties