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56531-58-9,MFCD00218940
Catalog No.:AA003J34
56531-58-9 | 3-(Carboxymethyl)adamantane-1-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$135.00   $94.00
- +
500mg
95.0%
3 weeks  
$190.00   $133.00
- +
1g
95.0%
3 weeks  
$244.00   $171.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003J34
Chemical Name:
3-(Carboxymethyl)adamantane-1-carboxylic acid
CAS Number:
56531-58-9
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
MDL Number:
MFCD00218940
IUPAC Name:
3-(carboxymethyl)adamantane-1-carboxylic acid
InChI:
InChI=1S/C13H18O4/c14-10(15)6-12-2-8-1-9(3-12)5-13(4-8,7-12)11(16)17/h8-9H,1-7H2,(H,14,15)(H,16,17)
InChI Key:
YQXJBYAQGPMUEP-UHFFFAOYSA-N
SMILES:
OC(=O)CC12CC3CC(C1)CC(C2)(C3)C(=O)O
Properties
Computed Properties
 
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
3-(carboxymethyl)adamantane-1-carboxylic acid 
56531-58-9 
DTXSID70404298 
HMS1410O04 
ALBB-013846 
MFCD00218940 
AKOS001010886 
AKOS016845587 
CC-1935 
MCULE-4425753830 
TRA0064439 
IDI1_008179 
3-Carboxyadamantane-1-acetic acid 
NCGC00328201-01 
AB0103030 
TC-169765 
R2630 
EN300-54116 
AB01323541-02 
3-CARBOXYMETHYLADAMANTANE-1-CARBOXYLIC ACID 
AG-670/25001050 
I04-1183 
Z56757115 
Enamine_005944 
tricyclo[3.3.1.1~3,7~]decane-1-acetic acid, 3-carboxy- 
CID4564024 
3-carboxymethyl adamantane-1-carboxylic acid 
AC1NCSJZ 
ACMC-1ATXL 
Oprea1_321214 
AC1Q752T 
CTK5A5296 
Literature
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