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192512-68-8 | Diphosphoric acid, P-(2E)-7-methyl-2,6-octadien-1-yl ester
CAS No: 192512-68-8 Catalog No: AG002G1I MDL No:
Product Description
Catalog Number:
AG002G1I
Chemical Name:
Diphosphoric acid, P-(2E)-7-methyl-2,6-octadien-1-yl ester
CAS Number:
192512-68-8
Molecular Formula:
C9H15O7P2---
Molecular Weight:
297.1587
IUPAC Name:
[7-methylocta-2,6-dienoxy(oxido)phosphoryl] phosphate
InChI:
InChI=1S/C9H18O7P2/c1-9(2)7-5-3-4-6-8-15-18(13,14)16-17(10,11)12/h4,6-7H,3,5,8H2,1-2H3,(H,13,14)(H2,10,11,12)/p-3
InChI Key:
YJTQQQQPZUKKGG-UHFFFAOYSA-K
SMILES:
CC(=CCC/C=C/COP(=O)(OP(=O)([O-])[O-])[O-])C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.029g/mol
Formal Charge:
-3
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.16g/mol
Monoisotopic Mass:
297.029g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.2
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