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88482-93-3 | Butanoic acid, 1-[(1,1-dimethylethyl)dioxy]ethyl ester
CAS No: 88482-93-3 Catalog No: AG0049WH MDL No:
Product Description
Catalog Number:
AG0049WH
Chemical Name:
Butanoic acid, 1-[(1,1-dimethylethyl)dioxy]ethyl ester
CAS Number:
88482-93-3
Molecular Formula:
C10H20O4
Molecular Weight:
204.2634
IUPAC Name:
1-tert-butylperoxyethyl butanoate
InChI:
InChI=1S/C10H20O4/c1-6-7-9(11)12-8(2)13-14-10(3,4)5/h8H,6-7H2,1-5H3
InChI Key:
KGHWJKQFKRSREI-UHFFFAOYSA-N
SMILES:
CCCC(=O)OC(OOC(C)(C)C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.266g/mol
Monoisotopic Mass:
204.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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