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114077-27-9 | Phosphonic acid, [(phenylthio)methyl]-, ethyl propyl ester, (R)- (9CI)
CAS No: 114077-27-9 Catalog No: AG000AHB MDL No:
Product Description
Catalog Number:
AG000AHB
Chemical Name:
Phosphonic acid, [(phenylthio)methyl]-, ethyl propyl ester, (R)- (9CI)
CAS Number:
114077-27-9
Molecular Formula:
C12H19O3PS
Molecular Weight:
274.3162
IUPAC Name:
[ethoxy(propoxy)phosphoryl]methylsulfanylbenzene
InChI:
InChI=1S/C12H19O3PS/c1-3-10-15-16(13,14-4-2)11-17-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChI Key:
JHLKQUWQNGUCSL-UHFFFAOYSA-N
SMILES:
CCCO[P@@](=O)(CSc1ccccc1)OCC
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.315g/mol
Monoisotopic Mass:
274.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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