Home Carboxys 4-methoxy-1-methylcyclohexane-1-carboxylic acid

4-methoxy-1-methylcyclohexane-1-carboxylic acid

CAS No.:
150864-93-0
Catalog Number:
AG01BCYG
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01BCYG
Chemical Name:
4-methoxy-1-methylcyclohexane-1-carboxylic acid
CAS Number:
150864-93-0
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD20265396
IUPAC Name:
4-methoxy-1-methylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H16O3/c1-9(8(10)11)5-3-7(12-2)4-6-9/h7H,3-6H2,1-2H3,(H,10,11)
InChI Key:
SGLPKMBIHAOCST-UHFFFAOYSA-N
SMILES:
COC1CCC(CC1)(C)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:
1  
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties