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Home Other Building Blocks methyl 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetate, Mixture of diastereomers

methyl 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetate, Mixture of diastereomers

CAS No.:
26027-93-0
Catalog Number:
AG01DW9Y
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01DW9Y
Chemical Name:
methyl 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetate, Mixture of diastereomers
CAS Number:
26027-93-0
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD29980732
IUPAC Name:
methyl 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetate
InChI:
InChI=1S/C9H16O3/c1-9(2)6(4-7(9)10)5-8(11)12-3/h6-7,10H,4-5H2,1-3H3
InChI Key:
QCCZUZKJPLGYCO-UHFFFAOYSA-N
SMILES:
COC(=O)CC1CC(C1(C)C)O
Properties
Complexity:
186  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties