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

1-methoxy-4-phenylcyclohexane-1-carboxylic acid

CAS No.:
1303500-15-3
Catalog Number:
AG01BB1J
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
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Product Description
Catalog Number:
AG01BB1J
Chemical Name:
1-methoxy-4-phenylcyclohexane-1-carboxylic acid
CAS Number:
1303500-15-3
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
MDL Number:
MFCD13447269
IUPAC Name:
1-methoxy-4-phenylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H18O3/c1-17-14(13(15)16)9-7-12(8-10-14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,16)
InChI Key:
VTNAIQWEUOFEPY-UHFFFAOYSA-N
SMILES:
COC1(CCC(CC1)c1ccccc1)C(=O)O
Properties
Complexity:
261  
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:
2.5  
Properties