Bicyclo(2.2.1)heptane-7-carboxylic acid

HCID 12757495CAS 5971-67-5

基本情報

標準SMILES: O=C(O)C1C2CCC1CC2
InChIKey: JTOORKXBTBVURJ-UHFFFAOYSA-N
分子式: C8H12O2
平均分子量: 140.18 g/mol
単同位体質量: 140.08372962

名称と識別子

優先名称: Bicyclo(2.2.1)heptane-7-carboxylic acid
IUPAC: bicyclo[2.2.1]heptane-7-carboxylic acid

名称と別名

Bicyclo[2.2.1]heptane-7-carboxylic acid5971-67-5DTXSID80509086Bicyclo(2.2.1)heptane-7-carboxylic acidRefChem:329244DTXCID60459893866-943-2norbornane-7-carboxylic acid7-Norbornanecarboxylic acidSCHEMBL9671617-carboxybicyclo[2.2.1]heptaneJTOORKXBTBVURJ-UHFFFAOYSA-N

名称をさらに表示

FAA97167MFCD19228121AKOS006377076AKOS006379753Bicyclo[2.2.1]heptane-7-carboxylicacidCS-14145SY247302EN300-106871

データベース識別子

CAS: 5971-67-5
PubChem CID: 12757495
DTXSID: DTXSID80509086
EC Number: 866-943-2

物性

構造計算による物性

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: 10
形式電荷: 0
複雑度: 145

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.