3,4-Dihydro-2H-pyran-2-carbaldehyde

Formula:C6H8O2 CAS:100-73-2 ChemrytIQ

PropertyValue
Casrn100-73-2
MolName3,4-Dihydro-2H-pyran-2-carbaldehyde
MolecularFormulaC6H8O2
SmilesO=CC1OC=CCC1
InChIInChI=1S/C6H8O2/c7-5-6-3-1-2-4-8-6/h2,4-6H,1,3H2/t6-/m0/s1
InChIKNPWYTMFWRRIFLK-LURJTMIESA-N
CanonicalSyTyLFy3987003d09160f95
TotalMolweight112.128
Molweight112.128
MonoisotopicMass112.05243
CLogP-0.1938
CLogS-1.571
H Acceptors2
TotalSurfaceArea96.06
Relative PSA0.23985
PolarSurfaceArea26.3
Druglikeness-6.3422
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.75
Molecula Flexibility0.39972
Molecular Complexity0.64124
Fragments1
Non HAtoms8
NonCHAtoms2
Electronegative Atoms2
StereoCenters1
Rotatable Bond1
Rings Closures1
Small Rings1
Sp3Atoms4
StereoConracemate
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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1000-63-1nonenonehighC8H18O130.23-19.78 ChemrytIQ
100020-95-9highnonelowC12H17OCl212.719-11.962 ChemrytIQ
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1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574 ChemrytIQ
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100008-36-4nonenonenoneC17H22O2258.36-5.6379 ChemrytIQ
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100-10-7nonehighhighC9H11NO149.192-1.8715 ChemrytIQ
100-20-9highnonelowC8H4O2Cl2203.024-10.706 ChemrytIQ
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100-82-3nonenonenoneC7H8NF125.146-3.4112 ChemrytIQ
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356 ChemrytIQ
100-91-4nonenonehighC17H25NO3291.393.3475 ChemrytIQ
100004-94-2nonenonenoneC13H11NO2213.235-1.5864 ChemrytIQ
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1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926 ChemrytIQ
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344 ChemrytIQ
10001-30-6nonenonenoneC17H14O4282.294-0.8408 ChemrytIQ
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100-75-4highhighhighC5H10N2O114.147-0.86877 ChemrytIQ
100021-05-4nonenonenoneC21H28O2312.4510.95307 ChemrytIQ
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568 ChemrytIQ
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843 ChemrytIQ
10-35-5nonenonenoneC4H6O2BrF184.992-23.473 ChemrytIQ
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6 ChemrytIQ
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100-33-4nonenonenoneC19H24N4O2340.426-7.2784 ChemrytIQ
100-70-9nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
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100004-78-2nonenonenoneC16H11NO2249.268-1.5746 ChemrytIQ
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