Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid

HCID 2733865

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 16200-53-6
標準SMILES: O=C(O)C12CC3CC(CC1C3)C2
InChIKey: RXUUYFUQAGICCD-UHFFFAOYSA-N
分子式: C10H14O2
平均分子量: 166.22 g/mol
単同位体質量: 166.09937969

名称と識別子

優先名称: Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid
IUPAC: tricyclo[3.3.1.03,7]nonane-3-carboxylic acid

名称と別名

16200-53-6hexahydro-2,5-methanopentalene-3a(1h)-carboxylic acidDTXSID101212617hexahydro-2,5-methanopentalene-3a[1H]-carboxylic acidRefChem:786133DTXCID101643971Octahydro-2,5-methanopentalene-3a-carboxylic acid3-Noradamantane carboxylic acid2,5-Methanopentalene-3a(1H)-carboxylic acid, hexahydro-tricyclo[3.3.1.03,7]nonane-3-carboxylic acidSCHEMBL392678BDBM36211

名称をさらに表示

RXUUYFUQAGICCD-UHFFFAOYSA-3-noradamantanecarboxylate (NAC)AKOS015892776FN00329ST100809SY057061CS-0012219N0621

データベース識別子

CAS: 16200-53-6
PubChem CID: 2733865
DTXSID: DTXSID101212617
EC Number: 681-354-9
Nikkaji: J364.564I

物性

構造計算による物性補完中

XLogP: 2
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 232

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)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.