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20030-54-0 | Phosphonic acid, (trimethyloxiranyl)-, diethyl ester (9CI)
CAS No: 20030-54-0 Catalog No: AG002COU MDL No:
Product Description
Catalog Number:
AG002COU
Chemical Name:
Phosphonic acid, (trimethyloxiranyl)-, diethyl ester (9CI)
CAS Number:
20030-54-0
Molecular Formula:
C9H19O4P
Molecular Weight:
222.2185
IUPAC Name:
2-diethoxyphosphoryl-2,3,3-trimethyloxirane
InChI:
InChI=1S/C9H19O4P/c1-6-11-14(10,12-7-2)9(5)8(3,4)13-9/h6-7H2,1-5H3
InChI Key:
XBWWRMUQXBRSIG-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C1(C)OC1(C)C)OCC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.102g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.221g/mol
Monoisotopic Mass:
222.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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