Home Other Building Blocks 3-(tert-butoxy)-2-cyclopentyl-3-oxopropanoic acid

3-(tert-butoxy)-2-cyclopentyl-3-oxopropanoic acid

CAS No.:
1955560-75-4
Catalog Number:
AG01C288
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
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Product Description
Catalog Number:
AG01C288
Chemical Name:
3-(tert-butoxy)-2-cyclopentyl-3-oxopropanoic acid
CAS Number:
1955560-75-4
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
MDL Number:
MFCD30180336
IUPAC Name:
2-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
InChI:
InChI=1S/C12H20O4/c1-12(2,3)16-11(15)9(10(13)14)8-6-4-5-7-8/h8-9H,4-7H2,1-3H3,(H,13,14)
InChI Key:
XJCKQINCVTVOIG-UHFFFAOYSA-N
SMILES:
O=C(C(C(=O)O)C1CCCC1)OC(C)(C)C
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties