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129065-10-7 | Phosphonic acid, 7-octenyl-, diethyl ester (9CI)
CAS No: 129065-10-7 Catalog No: AG000YTG MDL No:
Product Description
Catalog Number:
AG000YTG
Chemical Name:
Phosphonic acid, 7-octenyl-, diethyl ester (9CI)
CAS Number:
129065-10-7
Molecular Formula:
C12H25O3P
Molecular Weight:
248.2989
IUPAC Name:
8-diethoxyphosphoryloct-1-ene
InChI:
InChI=1S/C12H25O3P/c1-4-7-8-9-10-11-12-16(13,14-5-2)15-6-3/h4H,1,5-12H2,2-3H3
InChI Key:
XAPZLYDPFNLYJQ-UHFFFAOYSA-N
SMILES:
C=CCCCCCCP(=O)(OCC)OCC
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.154g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.303g/mol
Monoisotopic Mass:
248.154g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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