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89781-52-2,MFCD00471460
Catalog No.:AA003YKX
89781-52-2 | 8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
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100mg
95+%
2 weeks  
$163.00   $114.00
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250mg
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$234.00   $164.00
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1g
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$499.00   $349.00
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Technical Information
Catalog Number:
AA003YKX
Chemical Name:
8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CAS Number:
89781-52-2
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD00471460
IUPAC Name:
8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H10O3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6H,1-3H2,(H,13,14)
InChI Key:
NZBNORDTBKGVQM-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cc(cc2)C(=O)O
Properties
Computed Properties
 
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
89781-52-2 
8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid 
SCHEMBL552091 
2-tetralon-7-carboxylic acid; 
AMOT0863 
5,6,7,8-tetrahydro-8-oxo-2-Naphthalenecarboxylic acid 
CTK3E6990 
DTXSID70563657 
NZBNORDTBKGVQM-UHFFFAOYSA-N 
BCP15198 
ZINC9236903 
2400AF 
8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylic acid 
CO-152 
EBD872542 
FCH830889 
MFCD00471460 
STK317918 
AKOS000103523 
CS-W007253 
DS-8116 
MCULE-6692874769 
DA-01607 
8-Oxo-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid 
AX8111460 
TR-028166 
BB 0237495 
FT-0678424 
ST51039779 
8-oxo-5,6,7,8-tetrahydronaphth-2-oic acid; 
O57075 
Z-5396 
8-Oxo-5,6,7,8-tetrahydro-[2]naphthoesaeure; 
8-oxo-5,6,7,8-tetrahydro-[2]naphthoic acid; 
1-tetralon-7-carboxylic acid 
8-oxo-5,6,7-trihydronaphthalene-2-carboxylic acid 
I04-5630 
8-Oxo-5,6,7,8-tetrahydronaphthalene- 2-carboxylic acid 
8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid; 
C11H10O3 
ACN-040974 
AK172636 
8-oxo-5,6,7,8-tetrahydronaphth-2-oic acid 
2-Naphthalenecarboxylicacid, 5,6,7,8-tetrahydro-8-oxo- 
ACMC-20ecbf 
7-carboxy-1-tetralone; 
Literature
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