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138681-48-8 | Butanoic acid, 3-[(1,1-dimethylethyl)dioxy]-3-methoxy-, ethyl ester
CAS No: 138681-48-8 Catalog No: AG0018ZF MDL No:
Product Description
Catalog Number:
AG0018ZF
Chemical Name:
Butanoic acid, 3-[(1,1-dimethylethyl)dioxy]-3-methoxy-, ethyl ester
CAS Number:
138681-48-8
Molecular Formula:
C11H22O5
Molecular Weight:
234.2894
IUPAC Name:
ethyl 3-tert-butylperoxy-3-methoxybutanoate
InChI:
InChI=1S/C11H22O5/c1-7-14-9(12)8-11(5,13-6)16-15-10(2,3)4/h7-8H2,1-6H3
InChI Key:
QPGHAFQSBFEORL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(OOC(C)(C)C)(OC)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.292g/mol
Monoisotopic Mass:
234.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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