(2-phenylcyclopropyl)methanol

CAS Number: 61826-40-2
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OCC(C1)C1c1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H12O
Molecular Weight
148.204
Drug-likeness
-3.8034
CAS
61826-40-2
InChI key
CEZOORGGKZLLAO-UHFFFAOYSA-N
SMILES
OCC(C1)C1c1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 61826-40-2
Molecule Name (2-phenylcyclopropyl)methanol
Molecular Formula C10H12O
SMILES OCC(C1)C1c1ccccc1
InChI InChI=1S/C10H12O/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChI Key CEZOORGGKZLLAO-UHFFFAOYSA-N
CanonicalSyTyLFy c1a99cba654ba8ce
TotalMolweight 148.204
Molecular Weight 148.204
MonoisotopicMass 148.088815
CLogP 2.113
CLogS -2.226
H Acceptors 1
H Donors 1
TotalSurfaceArea 118.63
Relative PSA 0.11043
PolarSurfaceArea 20.23
Drug-likeness -3.8034
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.72727
Molecula Flexibility 0.46991
Molecular Complexity 0.58275
Fragments 1
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 2
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5
Symmetricatoms 2
StereoCon unknown chirality

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