Home Other Building Blocks 2-cyclopentyl-2-(o-tolyl)acetic acid

2-cyclopentyl-2-(o-tolyl)acetic acid

CAS No.:
36450-60-9
Catalog Number:
AG01DWDP
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
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Product Description
Catalog Number:
AG01DWDP
Chemical Name:
2-cyclopentyl-2-(o-tolyl)acetic acid
CAS Number:
36450-60-9
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
MDL Number:
MFCD14529546
IUPAC Name:
2-cyclopentyl-2-(2-methylphenyl)acetic acid
InChI:
InChI=1S/C14H18O2/c1-10-6-2-5-9-12(10)13(14(15)16)11-7-3-4-8-11/h2,5-6,9,11,13H,3-4,7-8H2,1H3,(H,15,16)
InChI Key:
PTWZGQXYXMSQPO-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1C)C1CCCC1
Properties
Complexity:
243  
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:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties