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113474-25-2,MFCD22741888
Catalog No.:AA0008LW
113474-25-2 | Dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate
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250mg
95%
in stock  
$182.00   $128.00
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1g
95%
in stock  
$341.00   $239.00
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Technical Information
Catalog Number:
AA0008LW
Chemical Name:
Dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate
CAS Number:
113474-25-2
Molecular Formula:
C10H16O5
Molecular Weight:
216.2310
MDL Number:
MFCD22741888
IUPAC Name:
dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate
InChI:
InChI=1S/C10H16O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h6-8,11H,3-5H2,1-2H3
InChI Key:
WINOVBXKECSWMZ-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(O)CC(C1)C(=O)OC
Properties
Computed Properties
 
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.233g/mol
Monoisotopic Mass:
216.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Synonyms
 
113474-25-2 
Dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate 
SB22978 
AS-34846 
CS-0052738 
KS-00000802 
1,3-Cyclohexanedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester 
C10H16O5 
Dimethyl5-hydroxycyclohexane-1,3-dicarboxylate 
1,3-dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate 
5-Hydroxy-cyclohexane-1,3-dicarboxylic acid dimethyl ester 
SCHEMBL1650264 
DTXSID30728982 
WINOVBXKECSWMZ-UHFFFAOYSA-N 
2301AA 
MFCD22741888 
AKOS016009259 
Literature
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