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10018-78-7,MFCD00785959
Catalog No.:AA00013L
10018-78-7 | Butanedioic acid, 1-cyclohexyl ester
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Purity
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Price(USD)
Quantity
  
1g
95%
2 weeks  
$290.00
- +
5g
95%
2 weeks  
$580.00
- +
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00013L
Chemical Name:
Butanedioic acid, 1-cyclohexyl ester
CAS Number:
10018-78-7
Molecular Formula:
C10H15O4-
Molecular Weight:
199.2237
MDL Number:
MFCD00785959
IUPAC Name:
4-cyclohexyloxy-4-oxobutanoic acid
InChI:
InChI=1S/C10H16O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChI Key:
CQBVVSONJDUVEJ-UHFFFAOYSA-N
SMILES:
O=C(OC1CCCCC1)CCC(=O)[O-]
Properties
Computed Properties
 
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
4-(cyclohexyloxy)-4-oxobutanoic acid 
Cyclohexanol succinate 
cyclo-hexyl hydrogen succinate 
ARONIS008953 
SCHEMBL3472508 
4-cyclohexyloxy-4-oxobutanoic acid 
KS-000001VA 
ZINC1926464 
MFCD00785959 
STL064937 
AKOS000498440 
3-(cyclohexyloxycarbonyl)propanoic acid 
10018-78-7 
MCULE-3232226766 
KS-000040O9 
BB0285931 
LS-147485 
ST45045696 
CID120922 
C10-H16-O4 
4-06-00-00040 (Beilstein Handbook Reference) 
Radioplex 
Succinic acid, monocyclohexyl ester 
Butanedioic acid,1-cyclohexyl ester 
BRN 2558695 
Succinic acid monocyclohexyl ester 
cyclohexylsuccinate 
AC1L3RQD 
Literature
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