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139359-18-5 | 1,3,2-Dioxaphosphorinane-5-methanol, 2-chloro-5-ethyl-, acetate (9CI)
CAS No: 139359-18-5 Catalog No: AG001AV8 MDL No:
Product Description
Catalog Number:
AG001AV8
Chemical Name:
1,3,2-Dioxaphosphorinane-5-methanol, 2-chloro-5-ethyl-, acetate (9CI)
CAS Number:
139359-18-5
Molecular Formula:
C8H14ClO4P
Molecular Weight:
240.6211
IUPAC Name:
acetic acid;(2-chloro-5-ethyl-1,3,2-dioxaphosphinan-5-yl)methanol
InChI:
InChI=1S/C6H12ClO3P.C2H4O2/c1-2-6(3-8)4-9-11(7)10-5-6;1-2(3)4/h8H,2-5H2,1H3;1H3,(H,3,4)
InChI Key:
UMIXJZDROYPURB-UHFFFAOYSA-N
SMILES:
CCC1(COP(OC1)Cl)COC(=O)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.635g/mol
Monoisotopic Mass:
258.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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