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89080-10-4 | Phosphonic acid, (2-chloro-3-propyl-1,3-hexadienyl)-, diethyl ester
CAS No: 89080-10-4 Catalog No: AG00406O MDL No:
Product Description
Catalog Number:
AG00406O
Chemical Name:
Phosphonic acid, (2-chloro-3-propyl-1,3-hexadienyl)-, diethyl ester
CAS Number:
89080-10-4
Molecular Formula:
C13H24ClO3P
Molecular Weight:
294.7546
IUPAC Name:
4-(1-chloro-2-diethoxyphosphorylethenyl)hept-3-ene
InChI:
InChI=1S/C13H24ClO3P/c1-5-9-12(10-6-2)13(14)11-18(15,16-7-3)17-8-4/h9,11H,5-8,10H2,1-4H3
InChI Key:
DNZKMRQGPNQHBI-UHFFFAOYSA-N
SMILES:
CCCC(=CCC)C(=CP(=O)(OCC)OCC)Cl
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.756g/mol
Monoisotopic Mass:
294.115g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4
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