Home Carboxys 1-ethyl-4-hydroxycyclohexane-1-carboxylic acid

1-ethyl-4-hydroxycyclohexane-1-carboxylic acid

CAS No.:
1509096-29-0
Catalog Number:
AG01BA1E
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01BA1E
Chemical Name:
1-ethyl-4-hydroxycyclohexane-1-carboxylic acid
CAS Number:
1509096-29-0
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD26637271
IUPAC Name:
1-ethyl-4-hydroxycyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H16O3/c1-2-9(8(11)12)5-3-7(10)4-6-9/h7,10H,2-6H2,1H3,(H,11,12)
InChI Key:
HETLZOWCLHWFER-UHFFFAOYSA-N
SMILES:
CCC1(CCC(CC1)O)C(=O)O
Properties
Complexity:
169  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties