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872725-27-4 | Diphosphoric acid, mono(3-methylene-4-pentenyl) ester
CAS No: 872725-27-4 Catalog No: AG004LT5 MDL No:
Product Description
Catalog Number:
AG004LT5
Chemical Name:
Diphosphoric acid, mono(3-methylene-4-pentenyl) ester
CAS Number:
872725-27-4
Molecular Formula:
C6H9O7P2---
Molecular Weight:
255.0790
IUPAC Name:
[3-methylidenepent-4-enoxy(oxido)phosphoryl] phosphate
InChI:
InChI=1S/C6H12O7P2/c1-3-6(2)4-5-12-15(10,11)13-14(7,8)9/h3H,1-2,4-5H2,(H,10,11)(H2,7,8,9)/p-3
InChI Key:
PDJALTMUJKJMEL-UHFFFAOYSA-K
SMILES:
C=CC(=C)CCOP(=O)(OP(=O)([O-])[O-])[O-]
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.982g/mol
Formal Charge:
-3
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.079g/mol
Monoisotopic Mass:
254.982g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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