Home Carboxys 1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid

1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid

CAS No.:
1226274-42-5
Catalog Number:
AG01BB6Y
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
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Product Description
Catalog Number:
AG01BB6Y
Chemical Name:
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CAS Number:
1226274-42-5
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
MDL Number:
MFCD16325534
IUPAC Name:
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H20O3/c1-18-13-7-5-6-12(10-13)11-15(14(16)17)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,17)
InChI Key:
VXYMMNBGYFQVTR-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC1(CCCCC1)C(=O)O
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties