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207846-54-6 | Phosphonic acid, P-[(2E)-4-methyl-1-oxo-2-penten-1-yl]-, dimethyl ester
CAS No: 207846-54-6 Catalog No: AG002JC9 MDL No:
Product Description
Catalog Number:
AG002JC9
Chemical Name:
Phosphonic acid, P-[(2E)-4-methyl-1-oxo-2-penten-1-yl]-, dimethyl ester
CAS Number:
207846-54-6
Molecular Formula:
C8H15O4P
Molecular Weight:
206.1761
IUPAC Name:
1-dimethoxyphosphoryl-4-methylpent-2-en-1-one
InChI:
InChI=1S/C8H15O4P/c1-7(2)5-6-8(9)13(10,11-3)12-4/h5-7H,1-4H3
InChI Key:
WIPQGFDRTCAAMW-UHFFFAOYSA-N
SMILES:
COP(=O)(C(=O)/C=C/C(C)C)OC
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.178g/mol
Monoisotopic Mass:
206.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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