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233585-76-7 | Phosphonic acid, (2-hydroxy-2-methyl-4-pentenyl)-, diethyl ester (9CI)
CAS No: 233585-76-7 Catalog No: AG002MYV MDL No:
Product Description
Catalog Number:
AG002MYV
Chemical Name:
Phosphonic acid, (2-hydroxy-2-methyl-4-pentenyl)-, diethyl ester (9CI)
CAS Number:
233585-76-7
Molecular Formula:
C10H21O4P
Molecular Weight:
236.2451
IUPAC Name:
1-diethoxyphosphoryl-2-methylpent-4-en-2-ol
InChI:
InChI=1S/C10H21O4P/c1-5-8-10(4,11)9-15(12,13-6-2)14-7-3/h5,11H,1,6-9H2,2-4H3
InChI Key:
ZHKCRCCRLRQXGL-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(CC=C)(O)C)OCC
Properties
Complexity:
232
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:
1
Isotope Atom Count:
0
Molecular Weight:
236.248g/mol
Monoisotopic Mass:
236.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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