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89276-31-3 | Hexanoic acid, (3-methyl-3-oxetanyl)methyl ester
CAS No: 89276-31-3 Catalog No: AG0040RM MDL No:
Product Description
Catalog Number:
AG0040RM
Chemical Name:
Hexanoic acid, (3-methyl-3-oxetanyl)methyl ester
CAS Number:
89276-31-3
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
IUPAC Name:
(3-methyloxetan-3-yl)methyl hexanoate
InChI:
InChI=1S/C11H20O3/c1-3-4-5-6-10(12)14-9-11(2)7-13-8-11/h3-9H2,1-2H3
InChI Key:
DNJRTBNPGJYASM-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OCC1(C)COC1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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