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189559-23-7 | Phosphonic acid, (2-iodo-3-methyl-1,3-butadienyl)-, dimethyl ester (9CI)
CAS No: 189559-23-7 Catalog No: AG002DQS MDL No:
Product Description
Catalog Number:
AG002DQS
Chemical Name:
Phosphonic acid, (2-iodo-3-methyl-1,3-butadienyl)-, dimethyl ester (9CI)
CAS Number:
189559-23-7
Molecular Formula:
C7H12IO3P
Molecular Weight:
302.0466
IUPAC Name:
1-dimethoxyphosphoryl-2-iodo-3-methylbuta-1,3-diene
InChI:
InChI=1S/C7H12IO3P/c1-6(2)7(8)5-12(9,10-3)11-4/h5H,1H2,2-4H3
InChI Key:
MSTKDUQMXFFHKK-UHFFFAOYSA-N
SMILES:
COP(=O)(C=C(C(=C)C)I)OC
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.957g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.048g/mol
Monoisotopic Mass:
301.957g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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