Home Carboxys 1-(3-methylphenyl)cyclohexane-1-carboxylic acid

1-(3-methylphenyl)cyclohexane-1-carboxylic acid

CAS No.:
51275-30-0
Catalog Number:
AG019UW4
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
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Product Description
Catalog Number:
AG019UW4
Chemical Name:
1-(3-methylphenyl)cyclohexane-1-carboxylic acid
CAS Number:
51275-30-0
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
MDL Number:
MFCD08445205
IUPAC Name:
1-(3-methylphenyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H18O2/c1-11-6-5-7-12(10-11)14(13(15)16)8-3-2-4-9-14/h5-7,10H,2-4,8-9H2,1H3,(H,15,16)
InChI Key:
QGEJIFXNNZFMKI-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C1(CCCCC1)C(=O)O
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties