(2,3-Dihydro-1-benzofuran-7-yl)methanol

CAS Number: 151155-53-2
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OCc1c2OCCc2ccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C9H10O2
Molecular Weight
150.176
Drug-likeness
-2.5554
CAS
151155-53-2
InChI key
WUXXIPOWZJYRNE-UHFFFAOYSA-N
SMILES
OCc1c2OCCc2ccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 151155-53-2
Molecule Name (2,3-Dihydro-1-benzofuran-7-yl)methanol
Molecular Formula C9H10O2
SMILES OCc1c2OCCc2ccc1
InChI InChI=1S/C9H10O2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3,10H,4-6H2
InChI Key WUXXIPOWZJYRNE-UHFFFAOYSA-N
CanonicalSyTyLFy 1dba721178be0578
TotalMolweight 150.176
Molecular Weight 150.176
MonoisotopicMass 150.06808
CLogP 1.2881
CLogS -1.867
H Acceptors 2
H Donors 1
TotalSurfaceArea 117.39
Relative PSA 0.19678
PolarSurfaceArea 29.46
Drug-likeness -2.5554
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.54545
Molecula Flexibility 0.2278
Molecular Complexity 0.70078
Fragments 1
Non HAtoms 11
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5

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