5-Methylfuran-2-propionaldehyde

CAS 34756-16-6 · C₈H₁₀O₂ · MW 138.16 g/mol

关于 5-Methylfuran-2-propionaldehyde

5-Methylfuran-2-propionaldehyde 是一种化学品，登记号为 CAS 34756-16-6，分子式为 C₈H₁₀O₂，摩尔质量为 138.16 g/mol。

该分子包含 20 个原子，通过 20 个化学键连接。该化合物的完整系统 IUPAC 名称为 3-(5-methylfuran-2-yl)propanal。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，分配系数 logP = 1.1 (正值，亲脂性化合物)，极性表面积 PSA = 30.2 Å²，0 个氢键供体和 2 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。上方的小部件可用于教育、研究和商业用途。

理化性质

Molecular formula	C₈H₁₀O₂
Masa molowa	138.16 g/mol
IUPAC	3-(5-methylfuran-2-yl)propanal
SMILES	`CC1=CC=C(O1)CCC=O`
InChIKey	`WPBUABKBDHGOAJ-UHFFFAOYSA-N`
logP (XLogP3)	1.1
PSA	30.2 Å²
HBD / HBA	0 / 2
PubChem CID	CID 99537 ↗

GHS 安全

Signal word: Warning

GHS07

科学文献

Related literature

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

同义词

5-Methylfuran-2-propionaldehyde · EINECS 252-190-1 · NSC 239322 · RefChem:537254 · DTXCID50110800 · 252-190-1 · 34756-16-6 · 3-(5-methylfuran-2-yl)propanal · 3-(5-Methyl-2-furyl)propionaldehyde · 2-furanpropanal, 5-methyl- · 3-(5-methyl-2-furyl)propanal · 3-(5-Methyl-furan-2-yl)-propionaldehyde · MFCD01910105 · NSC-239322 · SB61021

数据来源

📊 PubChem CID 99537 — NIH
🔬 NIST WebBook — spektroskopia
🌐 Wikidata
💊 ChEMBL — bioaktywność