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116045-70-6 | Phosphonic acid, [1-(2-oxoethyl)butyl]-, diethyl ester (9CI)
CAS No: 116045-70-6 Catalog No: AG000BGJ MDL No:
Product Description
Catalog Number:
AG000BGJ
Chemical Name:
Phosphonic acid, [1-(2-oxoethyl)butyl]-, diethyl ester (9CI)
CAS Number:
116045-70-6
Molecular Formula:
C10H21O4P
Molecular Weight:
236.2451
IUPAC Name:
3-diethoxyphosphorylhexanal
InChI:
InChI=1S/C10H21O4P/c1-4-7-10(8-9-11)15(12,13-5-2)14-6-3/h9-10H,4-8H2,1-3H3
InChI Key:
OLNNVAQSCUUCDX-UHFFFAOYSA-N
SMILES:
CCCC(P(=O)(OCC)OCC)CC=O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.118g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.248g/mol
Monoisotopic Mass:
236.118g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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