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10099-04-4 | Thietane, 3,3-bis(2-methylpropoxy)-, 1,1-dioxide
CAS No: 10099-04-4 Catalog No: AG0003EL MDL No:
Product Description
Catalog Number:
AG0003EL
Chemical Name:
Thietane, 3,3-bis(2-methylpropoxy)-, 1,1-dioxide
CAS Number:
10099-04-4
Molecular Formula:
C11H22O4S
Molecular Weight:
250.3550
IUPAC Name:
3,3-bis(2-methylpropoxy)thietane 1,1-dioxide
InChI:
InChI=1S/C11H22O4S/c1-9(2)5-14-11(15-6-10(3)4)7-16(12,13)8-11/h9-10H,5-8H2,1-4H3
InChI Key:
NWUHNIKIXIOKEE-UHFFFAOYSA-N
SMILES:
CC(COC1(OCC(C)C)CS(=O)(=O)C1)C
NSC Number:
77406
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.124g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.353g/mol
Monoisotopic Mass:
250.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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