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Home > Other Heterocycles > 860383-07-9
860383-07-9 | 2,6-Dioxabicyclo[3.1.0]hex-3-ene-1-methanol
CAS No: 860383-07-9 Catalog No: AG004LRM MDL No:
Product Description
Catalog Number:
AG004LRM
Chemical Name:
2,6-Dioxabicyclo[3.1.0]hex-3-ene-1-methanol
CAS Number:
860383-07-9
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
IUPAC Name:
2,6-dioxabicyclo[3.1.0]hex-3-en-1-ylmethanol
InChI:
InChI=1S/C5H6O3/c6-3-5-4(8-5)1-2-7-5/h1-2,4,6H,3H2
InChI Key:
MJYGPZHOEREBIO-UHFFFAOYSA-N
SMILES:
OCC12OC=CC2O1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.1g/mol
Monoisotopic Mass:
114.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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