6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one

HCID 13754331CAS 74469-70-8

基本情報

標準SMILES: CC1(C)NC(=O)c2cc(O)ccc2O1
InChIKey: VNTPFMOUPGCKFE-UHFFFAOYSA-N
分子式: C10H11NO3
平均分子量: 193.2 g/mol

名称と識別子

優先名称: 6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one
IUPAC: 6-hydroxy-2,2-dimethyl-3H-1,3-benzoxazin-4-one

名称と別名

74469-70-86-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-oneRefChem:543348878-438-46-Hydroxy-2,2-dimethyl-2H-benzo[e][1,3]oxazin-4(3H)-one2,3-dihydro-2,2-dimethyl-6-hydroxy-4H-1,3-benzoxazin-4-oneSCHEMBL10712890VNTPFMOUPGCKFE-UHFFFAOYSA-NMFCD24551383SY488500EN300-87827662,3-dihydro-2,2-dimethyl-6-hydroxy-4H-1,3-benzoxazine-4-one

名称をさらに表示

6-Hydroxy-2,2-dimethyl-2,3-dihydro-4H-benzo[e][1,3]oxazin-4-one

データベース識別子

CAS: 74469-70-8
PubChem CID: 13754331
EC Number: 878-438-4

物性

構造計算による物性

XLogP: 1.3
極性表面積: 58.6 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: 14
形式電荷: 0
複雑度: 252

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.