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114478-93-2 | 1,4-Cyclohexanedicarboxylic acid, 1-ethyl ester
CAS No: 114478-93-2 Catalog No: AG000EIF MDL No:
Product Description
Catalog Number:
AG000EIF
Chemical Name:
1,4-Cyclohexanedicarboxylic acid, 1-ethyl ester
CAS Number:
114478-93-2
Molecular Formula:
C10H15O4-
Molecular Weight:
199.2237
IUPAC Name:
4-ethoxycarbonylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C10H16O4/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)
InChI Key:
FAFFYFMLKGDSEQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(CC1)C(=O)[O-]
NSC Number:
167504
Properties
Complexity:
216
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:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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