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89002-41-5 | Phosphoric acid, dimethyl 3-methyl-3-butenyl ester
CAS No: 89002-41-5 Catalog No: AG0046A1 MDL No:
Product Description
Catalog Number:
AG0046A1
Chemical Name:
Phosphoric acid, dimethyl 3-methyl-3-butenyl ester
CAS Number:
89002-41-5
Molecular Formula:
C7H15O4P
Molecular Weight:
194.1654
IUPAC Name:
dimethyl 3-methylbut-3-enyl phosphate
InChI:
InChI=1S/C7H15O4P/c1-7(2)5-6-11-12(8,9-3)10-4/h1,5-6H2,2-4H3
InChI Key:
ZEFDQQREAAEOPC-UHFFFAOYSA-N
SMILES:
COP(=O)(OCCC(=C)C)OC
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.167g/mol
Monoisotopic Mass:
194.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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