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115255-52-2 | 1,3,2-Dioxaphosphorinane, 2-isothiocyanato-5,5-dimethyl-, 2-oxide
CAS No: 115255-52-2 Catalog No: AG000GJA MDL No:
Product Description
Catalog Number:
AG000GJA
Chemical Name:
1,3,2-Dioxaphosphorinane, 2-isothiocyanato-5,5-dimethyl-, 2-oxide
CAS Number:
115255-52-2
Molecular Formula:
C6H10NO3PS
Molecular Weight:
207.1873
IUPAC Name:
2-isothiocyanato-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C6H10NO3PS/c1-6(2)3-9-11(8,7-5-12)10-4-6/h3-4H2,1-2H3
InChI Key:
AMNKNRMOZFKKSH-UHFFFAOYSA-N
SMILES:
S=C=NP1(=O)OCC(CO1)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.184g/mol
Monoisotopic Mass:
207.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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