(2,5-Dihydrofuran-2-yl)methanol

CAS Number: 63493-94-7
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OCC1OCC=C1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H8O2
Molecular Weight
100.117
Drug-likeness
-1.4387
CAS
63493-94-7
InChI key
WWLAVOQIMXATHS-RXMQYKEDSA-N
SMILES
OCC1OCC=C1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 63493-94-7
Molecule Name (2,5-Dihydrofuran-2-yl)methanol
Molecular Formula C5H8O2
SMILES OCC1OCC=C1
InChI InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h1-2,5-6H,3-4H2/t5-/m1/s1
InChI Key WWLAVOQIMXATHS-RXMQYKEDSA-N
CanonicalSyTyLFy 7965b807337228de
TotalMolweight 100.117
Molecular Weight 100.117
MonoisotopicMass 100.05243
CLogP -0.3314
CLogS -0.634
H Acceptors 2
H Donors 1
TotalSurfaceArea 82.87
Relative PSA 0.27875
PolarSurfaceArea 29.46
Drug-likeness -1.4387
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.41869
Molecular Complexity 0.69315
Fragments 1
Non HAtoms 7
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 1
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 5
StereoCon racemate

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