(2-Methoxyethoxy)methanol

CAS Number: 67796-27-4
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COCCOCO
Molecule Information
Mutagenic: low Tumorigenic: none Irritant: none
Formula
C4H10O3
Molecular Weight
106.12
Drug-likeness
-6.9895
CAS
67796-27-4
InChI key
JKPRALRROOFHFZ-UHFFFAOYSA-N
SMILES
COCCOCO
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 67796-27-4
Molecule Name (2-Methoxyethoxy)methanol
Molecular Formula C4H10O3
SMILES COCCOCO
InChI InChI=1S/C4H10O3/c1-6-2-3-7-4-5/h5H,2-4H2,1H3
InChI Key JKPRALRROOFHFZ-UHFFFAOYSA-N
CanonicalSyTyLFy f5650ca5c890990
TotalMolweight 106.12
Molecular Weight 106.12
MonoisotopicMass 106.062995
CLogP -0.5214
CLogS -0.548
H Acceptors 3
H Donors 1
TotalSurfaceArea 93.39
Relative PSA 0.35443
PolarSurfaceArea 38.69
Drug-likeness -6.9895
Mutagenic low
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions formaldehyde aduct
Shape Index 1
Molecula Flexibility 0.70312
Molecular Complexity 0.4621
Fragments 1
Non HAtoms 7
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 4
Sp3Atoms 7

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