Dihydro-5-methylenefuran-2(3H)-one

CAS Number: 10008-73-8
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C=C(CC1)OC1=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H6O2
Molecular Weight
98.1006
Drug-likeness
-10.667
CAS
10008-73-8
InChI key
SIFBVNDLLGPEKT-UHFFFAOYSA-N
SMILES
C=C(CC1)OC1=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 10008-73-8
Molecule Name Dihydro-5-methylenefuran-2(3H)-one
Molecular Formula C5H6O2
SMILES C=C(CC1)OC1=O
InChI InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h1-3H2
InChI Key SIFBVNDLLGPEKT-UHFFFAOYSA-N
CanonicalSyTyLFy 7ea490eb999a2f63
TotalMolweight 98.1006
Molecular Weight 98.1006
MonoisotopicMass 98.03678
CLogP 0.4597
CLogS -1.62
H Acceptors 2
TotalSurfaceArea 78.02
Relative PSA 0.29531
PolarSurfaceArea 26.3
Drug-likeness -10.667
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecular Complexity 0.7993
Fragments 1
Non HAtoms 7
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 1
Small Rings 1
Sp3Atoms 3

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