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18865-25-3 | 4H-1,3,2-Benzodioxaphosphorin, 2-(methylthio)-, 2-oxide
CAS No: 18865-25-3 Catalog No: AG002H3F MDL No:
Product Description
Catalog Number:
AG002H3F
Chemical Name:
4H-1,3,2-Benzodioxaphosphorin, 2-(methylthio)-, 2-oxide
CAS Number:
18865-25-3
Molecular Formula:
C8H9O3PS
Molecular Weight:
216.1940
IUPAC Name:
2-methylsulfanyl-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
InChI:
InChI=1S/C8H9O3PS/c1-13-12(9)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3
InChI Key:
GOAOHVJAXBHBBP-UHFFFAOYSA-N
SMILES:
CSP1(=O)OCc2c(O1)cccc2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.191g/mol
Monoisotopic Mass:
216.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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