3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one

HCID 340986

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Basic information

CAS: 84102-09-0
Standard SMILES: CC1CC(=O)c2c(CO)nn(CCCO)c2C1
InChIKey: LGIIGPOXIBATKW-UHFFFAOYSA-N
Molecular formula: C12H18N2O3
Average molar mass: 238.28 g/mol
Monoisotopic mass: 238.13174244

Names & identifiers

Preferred name: 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
IUPAC: 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one

Names & synonyms

84102-09-0NSC3723213-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-oneDTXSID30321235NSC-3723213-(Hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one

Database identifiers

CAS: 84102-09-0
PubChem CID: 340986
DTXSID: DTXSID30321235

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 75.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 285

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