4-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione

HCID 346002CAS 41709-87-9

基本情報

標準SMILES: O=C1NC(=O)c2c(O)cccc21
InChIKey: XXYNZSATHOXXBJ-UHFFFAOYSA-N
分子式: C8H5NO3
平均分子量: 163.13 g/mol
単同位体質量: 163.02694302

名称と識別子

優先名称: 4-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC: 4-hydroxyisoindole-1,3-dione

名称と別名

4-hydroxy-2,3-dihydro-1H-isoindole-1,3-dioneRefChem:523725854-641-341709-87-94-hydroxyisoindole-1,3-dione4-Hydroxyisoindoline-1,3-dioneHydroxyphthalimide4-Hydroxy-1h-isoindole-1,3(2h)-dionehydroxy phthalimide3-HydroxyphthalimidNSC403994SCHEMBL51539

名称をさらに表示

dihydroxy-1h-isoindole-1-oneSCHEMBL1499914SCHEMBL4850007SCHEMBL6338271CHEMBL4587663SCHEMBL29779636DTXSID90323432XXYNZSATHOXXBJ-UHFFFAOYSA-N

データベース識別子

CAS: 41709-87-9
PubChem CID: 346002
DTXSID: DTXSID90323432
ChEMBL: CHEMBL4587663
EC Number: 854-641-3

物性

構造計算による物性

XLogP: 0.9
極性表面積: 66.4 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 238

実験および物理化学的性質

SpringerMaterials PropertiesAngular frequency

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.