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88647-98-7 | Phosphinic acid, (1-hydroxyethyl)-, 4-(methylthio)cyclohexyl ester
CAS No: 88647-98-7 Catalog No: AG0048X7 MDL No:
Product Description
Catalog Number:
AG0048X7
Chemical Name:
Phosphinic acid, (1-hydroxyethyl)-, 4-(methylthio)cyclohexyl ester
CAS Number:
88647-98-7
Molecular Formula:
C9H19O3PS
Molecular Weight:
238.2841
IUPAC Name:
1-hydroxyethyl-(4-methylsulfanylcyclohexyl)oxy-oxophosphanium
InChI:
InChI=1S/C9H18O3PS/c1-7(10)13(11)12-8-3-5-9(14-2)6-4-8/h7-10H,3-6H2,1-2H3/q+1
InChI Key:
DEEAUBVFNXLAPD-UHFFFAOYSA-N
SMILES:
CSC1CCC(CC1)OP(=O)C(O)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.071g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.274g/mol
Monoisotopic Mass:
237.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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