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856176-37-9,MFCD20646350
Catalog No.:AA003654
856176-37-9 | 8-Oxabicyclo[3.2.1]octane-3-carboxylic acid
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Purity
Availability
Price(USD)
Quantity
  
250mg
97%
1 week  
$443.00   $310.00
- +
1g
97%
1 week  
$1,212.00   $848.00
- +
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Technical Information
Catalog Number:
AA003654
Chemical Name:
8-Oxabicyclo[3.2.1]octane-3-carboxylic acid
CAS Number:
856176-37-9
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD20646350
IUPAC Name:
8-oxabicyclo[3.2.1]octane-3-carboxylic acid
InChI:
InChI=1S/C8H12O3/c9-8(10)5-3-6-1-2-7(4-5)11-6/h5-7H,1-4H2,(H,9,10)
InChI Key:
PQTLQJVGJFXEET-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2CCC(C1)O2
NSC Number:
119485
Properties
Computed Properties
 
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
8-oxabicyclo[3.2.1]octane-3-carboxylic acid 
856176-37-9 
3313AC 
MFCD20646350 
AKOS016009003 
NSC-119485 
PB38645 
SB21645 
AS-34898 
CS-0049933 
Q-4004 
C8H12O3 
exo-8-Oxabicyclo[3.2.1]octane-3-carboxylic acid 
CID273829 
8-Oxabicyclo[3.2.1]octane-3-carboxylicacid 
N/A 
(1R,5S)-8-oxabicyclo[3.2.1]octane-3-carboxylic acid 
NSC119485 
AC1L6TPQ 
SCHEMBL13735624 
CTK7I7467 
DTXSID00297938 
KS-000008BT 
Literature
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