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116245-63-7 | 1,3,2-Oxathiaborinane, 2-(1-methylethyl)-
CAS No: 116245-63-7 Catalog No: AG000C1I MDL No:
Product Description
Catalog Number:
AG000C1I
Chemical Name:
1,3,2-Oxathiaborinane, 2-(1-methylethyl)-
CAS Number:
116245-63-7
Molecular Formula:
C6H13BOS
Molecular Weight:
144.0428
IUPAC Name:
2-propan-2-yl-1,3,2-oxathiaborinane
InChI:
InChI=1S/C6H13BOS/c1-6(2)7-8-4-3-5-9-7/h6H,3-5H2,1-2H3
InChI Key:
KGNVHHKDOVMQRB-UHFFFAOYSA-N
SMILES:
CC(B1OCCCS1)C
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.078g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.039g/mol
Monoisotopic Mass:
144.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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