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89055-55-0 | 2-Butanone, 3-(acetyloxy)-4-[(1,3-dioxolan-2-ylmethyl)thio]-
CAS No: 89055-55-0 Catalog No: AG0041KO MDL No:
Product Description
Catalog Number:
AG0041KO
Chemical Name:
2-Butanone, 3-(acetyloxy)-4-[(1,3-dioxolan-2-ylmethyl)thio]-
CAS Number:
89055-55-0
Molecular Formula:
C10H16O5S
Molecular Weight:
248.2960
IUPAC Name:
[1-(1,3-dioxolan-2-ylmethylsulfanyl)-3-oxobutan-2-yl] acetate
InChI:
InChI=1S/C10H16O5S/c1-7(11)9(15-8(2)12)5-16-6-10-13-3-4-14-10/h9-10H,3-6H2,1-2H3
InChI Key:
XAPCUTSYHAHDCO-UHFFFAOYSA-N
SMILES:
CC(=O)C(OC(=O)C)CSCC1OCCO1
Properties
Complexity:
250
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:
7
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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