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88953-93-9 | Hexanoic acid, 3-(acetyloxy)-5-methyl-, ethyl ester
CAS No: 88953-93-9 Catalog No: AG0047TG MDL No:
Product Description
Catalog Number:
AG0047TG
Chemical Name:
Hexanoic acid, 3-(acetyloxy)-5-methyl-, ethyl ester
CAS Number:
88953-93-9
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
ethyl 3-acetyloxy-5-methylhexanoate
InChI:
InChI=1S/C11H20O4/c1-5-14-11(13)7-10(6-8(2)3)15-9(4)12/h8,10H,5-7H2,1-4H3
InChI Key:
YNXBZSYNJXUMIU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(OC(=O)C)CC(C)C
Properties
Complexity:
211
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:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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