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87532-08-9 | Pentanoic acid, 2-(acetyloxy)-, 1,1-dimethylethyl ester
CAS No: 87532-08-9 Catalog No: AG004HA9 MDL No:
Product Description
Catalog Number:
AG004HA9
Chemical Name:
Pentanoic acid, 2-(acetyloxy)-, 1,1-dimethylethyl ester
CAS Number:
87532-08-9
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
tert-butyl 2-acetyloxypentanoate
InChI:
InChI=1S/C11H20O4/c1-6-7-9(14-8(2)12)10(13)15-11(3,4)5/h9H,6-7H2,1-5H3
InChI Key:
DUQNVLPBNXNTFB-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)OC(C)(C)C)OC(=O)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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