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139564-42-4 | Butanoic acid, 3-(acetyloxy)-2-methyl-, methyl ester
CAS No: 139564-42-4 Catalog No: AG001B9Z MDL No:
Product Description
Catalog Number:
AG001B9Z
Chemical Name:
Butanoic acid, 3-(acetyloxy)-2-methyl-, methyl ester
CAS Number:
139564-42-4
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
methyl 3-acetyloxy-2-methylbutanoate
InChI:
InChI=1S/C8H14O4/c1-5(8(10)11-4)6(2)12-7(3)9/h5-6H,1-4H3
InChI Key:
UYUNIPJXXCRQBO-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(OC(=O)C)C)C
FEMA Number:
4451
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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