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119713-39-2 | 1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-(1,2-propadien-1-yl)-, 2-oxide
CAS No: 119713-39-2 Catalog No: AG000PIB MDL No:
Product Description
Catalog Number:
AG000PIB
Chemical Name:
1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-(1,2-propadien-1-yl)-, 2-oxide
CAS Number:
119713-39-2
Molecular Formula:
C8H13O3P
Molecular Weight:
188.1608
IUPAC Name:
5,5-dimethyl-2-propa-1,2-dienyl-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C8H13O3P/c1-4-5-12(9)10-6-8(2,3)7-11-12/h5H,1,6-7H2,2-3H3
InChI Key:
LBSWXFUSPVYLTE-UHFFFAOYSA-N
SMILES:
C=C=CP1(=O)OCC(CO1)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.06g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.163g/mol
Monoisotopic Mass:
188.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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