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137295-68-2 | Heptanoic acid, 7,7-bis(diethoxyphosphinyl)-, ethyl ester
CAS No: 137295-68-2 Catalog No: AG00132K MDL No:
Product Description
Catalog Number:
AG00132K
Chemical Name:
Heptanoic acid, 7,7-bis(diethoxyphosphinyl)-, ethyl ester
CAS Number:
137295-68-2
Molecular Formula:
C17H36O8P2
Molecular Weight:
430.4105
IUPAC Name:
ethyl 7,7-bis(diethoxyphosphoryl)heptanoate
InChI:
InChI=1S/C17H36O8P2/c1-6-21-16(18)14-12-11-13-15-17(26(19,22-7-2)23-8-3)27(20,24-9-4)25-10-5/h17H,6-15H2,1-5H3
InChI Key:
XLSUTENWZHEITI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(P(=O)(OCC)OCC)P(=O)(OCC)OCC
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.189g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.415g/mol
Monoisotopic Mass:
430.189g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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