Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C9H9NO2 (3E)-3-(1H-pyrrol-2-ylmethylidene)oxolan-2-one | Chemryt

(3E)-3-(1H-pyrrol-2-ylmethylidene)oxolan-2-one

Molecular Formula : C9H9NO2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (3E)-3-(1H-pyrrol-2-ylmethylidene)oxolan-2-one

MolecularFormula : C9H9NO2

Smiles : O=C1OCC/C1=C\c1ccc[nH]1

InChI : InChI=1S/C9H9NO2/c11-9-7(3-5-12-9)6-8-2-1-4-10-8/h1-2,4,6,10H,3,5H2

InChIK : KNNZLUMLSTXQEQ-UHFFFAOYSA-N

TotalMolweight : 163.175

Molweight : 163.175

MonoisotopicMass : 163.063329

CLogP : 0.5035

CLogS : -1.415

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 129.31

Relative PSA : 0.28637

PolarSurfaceArea : 42.09

Druglikeness : 1.53

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.58333

Fragments : 1

Non HAtoms : 12

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 3

Aromatic Nitrogens : 1

Request More Details | (3E)-3-(1H-pyrrol-2-ylmethylidene)oxolan-2-one


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments