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88239-04-7 | Hexanoic acid, 5-(acetyloxy)-2-[(acetyloxy)methyl]-, methyl ester
CAS No: 88239-04-7 Catalog No: AG004CUS MDL No:
Product Description
Catalog Number:
AG004CUS
Chemical Name:
Hexanoic acid, 5-(acetyloxy)-2-[(acetyloxy)methyl]-, methyl ester
CAS Number:
88239-04-7
Molecular Formula:
C12H20O6
Molecular Weight:
260.2836
IUPAC Name:
methyl 5-acetyloxy-2-(acetyloxymethyl)hexanoate
InChI:
InChI=1S/C12H20O6/c1-8(18-10(3)14)5-6-11(12(15)16-4)7-17-9(2)13/h8,11H,5-7H2,1-4H3
InChI Key:
XNRALTXNQZPWOI-UHFFFAOYSA-N
SMILES:
COC(=O)C(CCC(OC(=O)C)C)COC(=O)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.286g/mol
Monoisotopic Mass:
260.126g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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