Home Carboxys 3-[1-(carboxymethyl)cyclohexyl]propanoic acid

3-[1-(carboxymethyl)cyclohexyl]propanoic acid

CAS No.:
20127-08-6
Catalog Number:
AG01AUHJ
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
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Product Description
Catalog Number:
AG01AUHJ
Chemical Name:
3-[1-(carboxymethyl)cyclohexyl]propanoic acid
CAS Number:
20127-08-6
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
MDL Number:
MFCD24479900
IUPAC Name:
3-[1-(carboxymethyl)cyclohexyl]propanoic acid
InChI:
InChI=1S/C11H18O4/c12-9(13)4-7-11(8-10(14)15)5-2-1-3-6-11/h1-8H2,(H,12,13)(H,14,15)
InChI Key:
BOKIRPUSQNSUMB-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1(CCCCC1)CC(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties