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19934-91-9 | Phosphonic acid, P-(3-methyl-1-oxobutyl)-, diethyl ester
CAS No: 19934-91-9 Catalog No: AG002C35 MDL No:
Product Description
Catalog Number:
AG002C35
Chemical Name:
Phosphonic acid, P-(3-methyl-1-oxobutyl)-, diethyl ester
CAS Number:
19934-91-9
Molecular Formula:
C9H19O4P
Molecular Weight:
222.2185
IUPAC Name:
1-diethoxyphosphoryl-3-methylbutan-1-one
InChI:
InChI=1S/C9H19O4P/c1-5-12-14(11,13-6-2)9(10)7-8(3)4/h8H,5-7H2,1-4H3
InChI Key:
SXXQSRHDNGFMGW-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(=O)CC(C)C)OCC
Properties
Complexity:
215
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:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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