Home Carboxys 4-Ethoxycyclohexanecarboxylic acid

4-Ethoxycyclohexanecarboxylic acid

CAS No.:
223136-24-1
Catalog Number:
AG00IM7I
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG00IM7I
Chemical Name:
4-Ethoxycyclohexanecarboxylic acid
CAS Number:
223136-24-1
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD20638776
IUPAC Name:
4-ethoxycyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H16O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChI Key:
FAPLLKWIEFADCF-UHFFFAOYSA-N
SMILES:
CCOC1CCC(CC1)C(=O)O
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties