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77118-93-5 | Hexanoic acid,3-(acetyloxy)-, methyl ester, (R)- (9CI)
CAS No: 77118-93-5 Catalog No: AG005663 MDL No:
Product Description
Catalog Number:
AG005663
Chemical Name:
Hexanoic acid,3-(acetyloxy)-, methyl ester, (R)- (9CI)
CAS Number:
77118-93-5
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
methyl 3-acetyloxyhexanoate
InChI:
InChI=1S/C9H16O4/c1-4-5-8(13-7(2)10)6-9(11)12-3/h8H,4-6H2,1-3H3
InChI Key:
ODICPWSNEYHYSJ-UHFFFAOYSA-N
SMILES:
CCCC(CC(=O)OC)OC(=O)C
EC Number:
244-262-6
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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