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17639-74-6 | Acetic acid, 2-(1-methylethoxy)-, 1-methylethyl ester
CAS No: 17639-74-6 Catalog No: AG0024NQ MDL No:
Product Description
Catalog Number:
AG0024NQ
Chemical Name:
Acetic acid, 2-(1-methylethoxy)-, 1-methylethyl ester
CAS Number:
17639-74-6
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
propan-2-yl 2-propan-2-yloxyacetate
InChI:
InChI=1S/C8H16O3/c1-6(2)10-5-8(9)11-7(3)4/h6-7H,5H2,1-4H3
InChI Key:
IPIPONKOIUEBFX-UHFFFAOYSA-N
SMILES:
CC(OCC(=O)OC(C)C)C
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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