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1018565-99-5,MFCD10018451
Catalog No.:AA0005NW
1018565-99-5 | 3,4-Dihydroquinolin-1(2h)-yl(oxo)acetic acid
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Purity
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Price(USD)
Quantity
  
1g
95%
in stock  
$74.00   $52.00
- +
5g
95%
in stock  
$212.00   $148.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0005NW
Chemical Name:
3,4-Dihydroquinolin-1(2h)-yl(oxo)acetic acid
CAS Number:
1018565-99-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD10018451
IUPAC Name:
2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetic acid
InChI:
InChI=1S/C11H11NO3/c13-10(11(14)15)12-7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H,14,15)
InChI Key:
FBNDXNKYPCIUMD-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)N1CCCc2c1cccc2
Properties
Computed Properties
 
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
1018565-99-5 
3,4-dihydroquinolin-1(2H)-yl(oxo)acetic acid 
BBL003762 
MFCD10018451 
STK501937 
ZINC19093150 
AKOS005172239 
MCULE-1425691552 
AJ-72042 
AB0154998 
FT-0679595 
3,4-dihydro-2H-quinolin-1-yl(oxo)acetic acid 
3,4-dihydro-1(2H)-quinolinyl(oxo)acetic acid 
Y-6291 
(3,4-Dihydroquinolin-1(2H)-yl)(oxo)acetic acid 
I04-5488 
2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetic acid 
C11H11NO3 
1(2H)-quinolineacetic acid, 3,4-dihydro-alpha-oxo- 
2-(3,4-Dihydroquinolin-1(2H)-yl)-2-oxoacetic acid 
SCHEMBL11326409 
CTK4A0324 
DTXSID90649321 
ALBB-009523 
7474AC 
Literature
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