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139564-43-5 | Butanoic acid, 3-(acetyloxy)-2-methyl-, ethyl ester
CAS No: 139564-43-5 Catalog No: AG001B9Y MDL No:
Product Description
Catalog Number:
AG001B9Y
Chemical Name:
Butanoic acid, 3-(acetyloxy)-2-methyl-, ethyl ester
CAS Number:
139564-43-5
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
ethyl 3-acetyloxy-2-methylbutanoate
InChI:
InChI=1S/C9H16O4/c1-5-12-9(11)6(2)7(3)13-8(4)10/h6-7H,5H2,1-4H3
InChI Key:
KYWLAHNPWLJLDJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(OC(=O)C)C)C
EC Number:
604-151-9
NSC Number:
98254
FEMA Number:
4038
Properties
Complexity:
188
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:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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