Keyword(s): | Plastic additives ; Food Contact Chemicals ; Drinking Water Chemicals |
Molecule Category | Free-form |
UNII | 86SSM2N1X7 |
EPA CompTox | DTXSID5041358 |
InChI Key | BAHPQISAXRFLCL-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C7H10N2O1 | |
Molecular Weight | 138.08 | |
AlogP | 0.86 | |
Hydrogen Bond Acceptor | 3.0 | |
Hydrogen Bond Donor | 2.0 | |
Number of Rotational Bond | 1.0 | |
Polar Surface Area | 61.27 | |
Molecular species | None | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 10.0 |
Resources | Reference | |
---|---|---|
CAS NUMBER | 615-05-4 | |
NORMAN SUSDAT | ||
FDA SRS | 86SSM2N1X7 | |
PubChem | 11976 | |
ChemSpider | 11481.0 |