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122150-99-6 | 1,4-Dioxan-2-one, 5-(hydroxymethyl)-
CAS No: 122150-99-6 Catalog No: AG0016V0 MDL No:MFCD28654551
Product Description
Catalog Number:
AG0016V0
Chemical Name:
1,4-Dioxan-2-one, 5-(hydroxymethyl)-
CAS Number:
122150-99-6
Molecular Formula:
C5H8O4
Molecular Weight:
132.1146
MDL Number:
MFCD28654551
IUPAC Name:
5-(hydroxymethyl)-1,4-dioxan-2-one
InChI:
InChI=1S/C5H8O4/c6-1-4-2-9-5(7)3-8-4/h4,6H,1-3H2
InChI Key:
HIQHCIVHNZGOKR-UHFFFAOYSA-N
SMILES:
OCC1COC(=O)CO1
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.042g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.115g/mol
Monoisotopic Mass:
132.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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