Home Other Building Blocks 3-cyclohexyl-2-hydroxypropanoic acid

3-cyclohexyl-2-hydroxypropanoic acid

CAS No.:
25400-54-8
Catalog Number:
AG01BD8C
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01BD8C
Chemical Name:
3-cyclohexyl-2-hydroxypropanoic acid
CAS Number:
25400-54-8
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD29047154
IUPAC Name:
3-cyclohexyl-2-hydroxypropanoic acid
InChI:
InChI=1S/C9H16O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8,10H,1-6H2,(H,11,12)
InChI Key:
WMHUKKRNWMPXKB-UHFFFAOYSA-N
SMILES:
OC(C(=O)O)CC1CCCCC1
EC Number:
812-501-9
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Ganglioside GM1 mimics: lipophilic substituents improve affinity for cholera toxin. Bioorganic & medicinal chemistry letters 20031103
Properties