(2-Methylcyclopropyl)methanol

CAS Number: 6077-72-1
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CC1C(CO)C1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H10O
Molecular Weight
86.1334
Drug-likeness
-3.19
CAS
6077-72-1
InChI key
SHEINYPABNPRPM-UHFFFAOYSA-N
SMILES
CC1C(CO)C1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 6077-72-1
Molecule Name (2-Methylcyclopropyl)methanol
Molecular Formula C5H10O
SMILES CC1C(CO)C1
InChI InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3
InChI Key SHEINYPABNPRPM-UHFFFAOYSA-N
CanonicalSyTyLFy af60db7116e490f2
TotalMolweight 86.1334
Molecular Weight 86.1334
MonoisotopicMass 86.073165
CLogP 0.6379
CLogS -1.153
H Acceptors 1
H Donors 1
TotalSurfaceArea 71.13
Relative PSA 0.18417
PolarSurfaceArea 20.23
Drug-likeness -3.19
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.83333
Molecula Flexibility 0.34681
Molecular Complexity 0.64864
Fragments 1
Non HAtoms 6
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 6
StereoCon unknown chirality

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