(2,3-Dihydrofuran-2-yl)methanol

CAS Number: 61472-86-4
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OCC1OC=CC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H8O2
Molecular Weight
100.117
Drug-likeness
-4.2894
CAS
61472-86-4
InChI key
PIYKGXDXJLMPRB-RXMQYKEDSA-N
SMILES
OCC1OC=CC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 61472-86-4
Molecule Name (2,3-Dihydrofuran-2-yl)methanol
Molecular Formula C5H8O2
SMILES OCC1OC=CC1
InChI InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h1,3,5-6H,2,4H2/t5-/m1/s1
InChI Key PIYKGXDXJLMPRB-RXMQYKEDSA-N
CanonicalSyTyLFy 2fe5821f3ddf4b90
TotalMolweight 100.117
Molecular Weight 100.117
MonoisotopicMass 100.05243
CLogP -0.3235
CLogS -1.086
H Acceptors 2
H Donors 1
TotalSurfaceArea 82.87
Relative PSA 0.27875
PolarSurfaceArea 29.46
Drug-likeness -4.2894
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.41869
Molecular Complexity 0.73241
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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