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116193-68-1 | Acetic acid, 2-(1,1-dimethylethoxy)-, butyl ester
CAS No: 116193-68-1 Catalog No: AG000BVC MDL No:
Product Description
Catalog Number:
AG000BVC
Chemical Name:
Acetic acid, 2-(1,1-dimethylethoxy)-, butyl ester
CAS Number:
116193-68-1
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
butyl 2-[(2-methylpropan-2-yl)oxy]acetate
InChI:
InChI=1S/C10H20O3/c1-5-6-7-12-9(11)8-13-10(2,3)4/h5-8H2,1-4H3
InChI Key:
DARALWWAWHQGQM-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)COC(C)(C)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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