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89373-37-5 | Butanedioic acid, (acetylthio)-, diethyl ester, (S)-
CAS No: 89373-37-5 Catalog No: AG003XB7 MDL No:
Product Description
Catalog Number:
AG003XB7
Chemical Name:
Butanedioic acid, (acetylthio)-, diethyl ester, (S)-
CAS Number:
89373-37-5
Molecular Formula:
C10H16O5S
Molecular Weight:
248.2960
IUPAC Name:
diethyl 2-acetylsulfanylbutanedioate
InChI:
InChI=1S/C10H16O5S/c1-4-14-9(12)6-8(16-7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3
InChI Key:
SEKZWUOFIGOAGG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C[C@@H](C(=O)OCC)SC(=O)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.293g/mol
Monoisotopic Mass:
248.072g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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