基本情報
- 標準SMILES
CC1(C)C2CCC(C2)C1C(=O)O- InChIKey
KJKODDSNIDHCKV-UHFFFAOYSA-N- 分子式
- C10H16O2
- 平均分子量
- 168.23 g/mol
- 単同位体質量
- 168.11502975
名称と識別子
- 優先名称
- Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
- IUPAC
- 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
- 現地名
- 3,3-ジメチルビシクロ[2.2.1]ヘプタン-2-カルボン酸
- 英語名
- 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
- 分子式
- C10H16O2
- 分子量
- 168.23
名称と別名
52557-98-93,3-Dimethylbicyclo[2.2.1]heptane-2-carboxylic acidEINECS 258-006-6Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-NSC 239115DTXSID60886009Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-3,3-Dimethylbicyclo(2.2.1)heptane-2-carboxylic acidRefChem:568157DTXCID501025359258-006-6474-10-2
名称をさらに表示
3,3-ジメチルビシクロ[2.2.1]ヘプタン-2-カルボン酸
474-09-9EINECS 207-479-7EINECS 207-480-2NSC2391153,3-dimethylbicyclo[2.2.1]heptane-2-carboxylicacidSCHEMBL6551752endo-3,3-Dimethylbicyclo(2.2.1)heptane-2-carboxylic acidexo-3,3-Dimethylbicyclo(2.2.1)heptane-2-carboxylic acid
データベース識別子
- CAS
474-09-9、474-10-2、52557-98-9- PubChem CID
- 99843
- DTXSID
DTXSID60886009- EC Number
- 207-479-7、207-480-2、258-006-6
- Nikkaji
- J295.695K
物性
構造計算による物性
- XLogP
- 2.6
- 極性表面積
- 37.3 Ų
- 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
- 220
物理化学的性質
- EPAの化学物質情報
- 2.2 · Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl- (52557-98-9)
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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.
危険有害性情報
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
法規制情報
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing InformationBicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-: ACTIVE
上流・下流製品情報
上流原料
サプライヤー1 社
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
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