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16727-61-0 | 1,3,2-Dioxaphosphorinane, 2-hydroxy-4-methyl-, 2-oxide
CAS No: 16727-61-0 Catalog No: AG001X8Z MDL No:
Product Description
Catalog Number:
AG001X8Z
Chemical Name:
1,3,2-Dioxaphosphorinane, 2-hydroxy-4-methyl-, 2-oxide
CAS Number:
16727-61-0
Molecular Formula:
C4H9O4P
Molecular Weight:
152.0856
IUPAC Name:
2-hydroxy-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C4H9O4P/c1-4-2-3-7-9(5,6)8-4/h4H,2-3H2,1H3,(H,5,6)
InChI Key:
CEGAYYSQZWLCPK-UHFFFAOYSA-N
SMILES:
CC1CCOP(=O)(O1)O
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.024g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.086g/mol
Monoisotopic Mass:
152.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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