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85480-07-5 | 1,3,2-Benzodioxaphosphole, 2-(propylthio)-, 2-oxide
CAS No: 85480-07-5 Catalog No: AG004N8L MDL No:
Product Description
Catalog Number:
AG004N8L
Chemical Name:
1,3,2-Benzodioxaphosphole, 2-(propylthio)-, 2-oxide
CAS Number:
85480-07-5
Molecular Formula:
C9H11O3PS
Molecular Weight:
230.2206
IUPAC Name:
2-propylsulfanyl-1,3,2λ5-benzodioxaphosphole 2-oxide
InChI:
InChI=1S/C9H11O3PS/c1-2-7-14-13(10)11-8-5-3-4-6-9(8)12-13/h3-6H,2,7H2,1H3
InChI Key:
KJSGTLRPJYTWBA-UHFFFAOYSA-N
SMILES:
CCCSP1(=O)Oc2c(O1)cccc2
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.218g/mol
Monoisotopic Mass:
230.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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