Home Other Building Blocks 2-[3-(tert-butoxy)cyclobutyl]acetic acid, Mixture of isomers

2-[3-(tert-butoxy)cyclobutyl]acetic acid, Mixture of isomers

CAS No.:
1803594-07-1
Catalog Number:
AG01B1KL
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
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Product Description
Catalog Number:
AG01B1KL
Chemical Name:
2-[3-(tert-butoxy)cyclobutyl]acetic acid, Mixture of isomers
CAS Number:
1803594-07-1
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
MDL Number:
MFCD28023680
IUPAC Name:
2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid
InChI:
InChI=1S/C10H18O3/c1-10(2,3)13-8-4-7(5-8)6-9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChI Key:
KKAYYILOIWIYOE-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CC(C1)OC(C)(C)C
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties