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189454-01-1 | Butanoic acid, (1S)-2-ethoxy-1-methyl-2-oxoethyl ester
CAS No: 189454-01-1 Catalog No: AG002DOQ MDL No:
Product Description
Catalog Number:
AG002DOQ
Chemical Name:
Butanoic acid, (1S)-2-ethoxy-1-methyl-2-oxoethyl ester
CAS Number:
189454-01-1
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
[(2S)-1-ethoxy-1-oxopropan-2-yl] butanoate
InChI:
InChI=1S/C9H16O4/c1-4-6-8(10)13-7(3)9(11)12-5-2/h7H,4-6H2,1-3H3/t7-/m0/s1
InChI Key:
RBNOGZRVVHLYKT-ZETCQYMHSA-N
SMILES:
CCCC(=O)O[C@H](C(=O)OCC)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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