Home Carboxys 2-Cyclopropyl-4-quinolinecarboxylic acid hydrate

2-Cyclopropyl-4-quinolinecarboxylic acid hydrate

CAS No.:
1982213-91-1
Catalog Number:
AG00J3GK
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00J3GK
Chemical Name:
2-Cyclopropyl-4-quinolinecarboxylic acid hydrate
CAS Number:
1982213-91-1
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD26959528
IUPAC Name:
2-cyclopropylquinoline-4-carboxylic acid;hydrate
InChI:
InChI=1S/C13H11NO2.H2O/c15-13(16)10-7-12(8-5-6-8)14-11-4-2-1-3-9(10)11;/h1-4,7-8H,5-6H2,(H,15,16);1H2
InChI Key:
XQWKGZVXOCNEDF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc2c1cccc2)C1CC1.O
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties