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188906-12-9 | Butanoic acid, 3-methoxy-2-oxo-, methyl ester, (3S)-
CAS No: 188906-12-9 Catalog No: AG002HI8 MDL No:
Product Description
Catalog Number:
AG002HI8
Chemical Name:
Butanoic acid, 3-methoxy-2-oxo-, methyl ester, (3S)-
CAS Number:
188906-12-9
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
IUPAC Name:
methyl (3S)-3-methoxy-2-oxobutanoate
InChI:
InChI=1S/C6H10O4/c1-4(9-2)5(7)6(8)10-3/h4H,1-3H3/t4-/m0/s1
InChI Key:
IJKBIGRZRUXPKU-BYPYZUCNSA-N
SMILES:
CO[C@H](C(=O)C(=O)OC)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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