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114234-44-5 | Phosphonic acid, (1-formyl-1-methylpropyl)-, diethyl ester (9CI)
CAS No: 114234-44-5 Catalog No: AG000AVU MDL No:
Product Description
Catalog Number:
AG000AVU
Chemical Name:
Phosphonic acid, (1-formyl-1-methylpropyl)-, diethyl ester (9CI)
CAS Number:
114234-44-5
Molecular Formula:
C9H19O4P
Molecular Weight:
222.2185
IUPAC Name:
2-diethoxyphosphoryl-2-methylbutanal
InChI:
InChI=1S/C9H19O4P/c1-5-9(4,8-10)14(11,12-6-2)13-7-3/h8H,5-7H2,1-4H3
InChI Key:
YQROCSZPISYCDR-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(C=O)(CC)C)OCC
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.102g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.221g/mol
Monoisotopic Mass:
222.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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