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22609-23-0

22609-23-0 | 3-(4-Hydroxy-2,8-dimethyl-quinolin-3-yl)-propionic acid

CAS No: 22609-23-0 Catalog No: AG01F7TH MDL No:

Product Description

Catalog Number:
AG01F7TH
Chemical Name:
3-(4-Hydroxy-2,8-dimethyl-quinolin-3-yl)-propionic acid
CAS Number:
22609-23-0
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
3-(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)propanoic acid
InChI:
InChI=1S/C14H15NO3/c1-8-4-3-5-11-13(8)15-9(2)10(14(11)18)6-7-12(16)17/h3-5H,6-7H2,1-2H3,(H,15,18)(H,16,17)
InChI Key:
RVSSXMXBVBIJDH-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(C)nc2c(c1O)cccc2C

Properties

Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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