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1139-13-5,MFCD02093457
Catalog No.:AA0009YK
1139-13-5 | Diethyl 1,1-cyclohexanedicarboxylate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$12.00   $8.00
- +
5g
98%
in stock  
$38.00   $27.00
- +
25g
98%
in stock  
$118.00   $83.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0009YK
Chemical Name:
Diethyl 1,1-cyclohexanedicarboxylate
CAS Number:
1139-13-5
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
MDL Number:
MFCD02093457
IUPAC Name:
diethyl cyclohexane-1,1-dicarboxylate
InChI:
InChI=1S/C12H20O4/c1-3-15-10(13)12(11(14)16-4-2)8-6-5-7-9-12/h3-9H2,1-2H3
InChI Key:
MLHUKQNAQSRVKI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCCC1)C(=O)OCC
NSC Number:
67359
Properties
Computed Properties
 
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
1139-13-5 
Diethyl 1,1-cyclohexanedicarboxylate 
AC1L6O3W 
SCHEMBL254353 
CTK4A8515 
KS-00000LVX 
DTXSID70290214 
1,1-Bis(ethoxycarbonyl)cyclohexane 
AC1Q6498 
NSC67359 
ZINC1694413 
9155AC 
diethyl cyclohexane-1,1-dicarboxylate 
ANW-16667 
BBL103302 
NSC-67359 
STL557112 
AKOS005258680 
Diethyl 1,1-cyclohexanedicarboxylate # 
AK305516 
DS-12128 
TR-031035 
C1640 
1,1-Cyclohexanedicarboxylic Acid Diethyl Ester 
FT-0682705 
C-5994 
Diethyl 1,1-cyclohexanedicarboxylate, AldrichCPR 
1,1-Cyclohexanedicarboxylicacid, 1,1-diethyl ester 
1,1-CYCLOHEXANE DICARBOXYLIC ACID DIETHYLESTER 
1,1-Cyclohexanedicarboxylic acid, 1,1-diethyl ester 
I14-21050 
C12H20O4 
AR-1I4307 
CID249270 
cyclohexane-1,1-dicarboxylic acid diethyl ester 
ACN-037090 
1,1-Cyclohexanedicarboxylicacid,diethylester 
13010-46-3 
1,1-diethyl cyclohexane-1,1-dicarboxylate 
MLHUKQNAQSRVKI-UHFFFAOYSA-N 
MFCD02093457 
1,1-Cyclohexanedicarboxylic acid, diethyl ester 
ACMC-1C6IC 
Literature
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