Home Carboxys 1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid

1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid

CAS No.:
36263-56-6
Catalog Number:
AG01AM51
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
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Product Description
Catalog Number:
AG01AM51
Chemical Name:
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CAS Number:
36263-56-6
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
MDL Number:
MFCD11037159
IUPAC Name:
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H18O3/c1-17-12-8-4-3-7-11(12)14(13(15)16)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16)
InChI Key:
KCMRNPRZCCSZOA-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1(CCCCC1)C(=O)O
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties