6-Methoxy-2-methyl-2,3-dihydro-1H-inden-1-one

HCID 231178

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5464-10-8
標準SMILES: COc1ccc2c(c1)C(=O)C(C)C2
InChIKey: VXKMGRRBRAIZKF-UHFFFAOYSA-N
分子式: C11H12O2
平均分子量: 176.21 g/mol
単同位体質量: 176.08372962

名称と識別子

優先名称: 6-Methoxy-2-methyl-2,3-dihydro-1H-inden-1-one
IUPAC: 6-methoxy-2-methyl-2,3-dihydroinden-1-one
英語名: 6-methoxy-2-methyl-2,3-dihydro-1H-inden-1-one
分子式: C11H12O2
分子量: 176.21

名称と別名

6-methoxy-2-methyl-2,3-dihydro-1h-inden-1-one5464-10-8DTXSID30282615RefChem:1074033DTXCID702337676-methoxy-2-methyl-2,3-dihydroinden-1-oneMFCD163016796-methoxy-2-methyl-1-indanoneCHEMBL3470236-Methoxy-2-methyl-indan-1-one6-Methoxy-2-methylindan-1-oneNSC26879

名称をさらに表示

1H-Inden-1-one, 2,3-dihydro-6-methoxy-2-methyl-

6-methoxy-2-methylindanone6-methoxy-2-methyl-indanone6-methyoxy-2-methyl-indanoneSCHEMBL3860892SCHEMBL29894949VXKMGRRBRAIZKF-UHFFFAOYSA-NBDBM50008547NSC-26879

データベース識別子

CAS: 5464-10-8
PubChem CID: 231178
DTXSID: DTXSID30282615
ChEMBL: CHEMBL347023
EC Number: 171-531-4
Nikkaji: J460.214E

物性

構造計算による物性

XLogP: 2.2
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 212

物理化学的性質

沸点: 148 °C · 148 °C(Press: 10 Torr)
比重(密度): 1.1188 g/cm3 · 1.1188 g/cm3(Temp: 16.9 °C)
貯蔵温度: Store at room temperature

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.