HCID165337

Isobutyrate

2-methylpropanoate

C4H7O2-87.1 g/molCAS 5711-69-3

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IDENTITY

结构与身份

标准SMILES: CC(C)C(=O)[O-]
InChIKey: KQNPFQTWMSNSAP-UHFFFAOYSA-M
分子式: C4H7O2-
平均分子量: 87.1 g/mol
单同位素质量: 87.04460446

COMPUTED

结构计算性质

等待补全

XLogP: 1.5
极性表面积: 40.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 6
形式电荷: -1
复杂度: 51

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 18 条

IsobutyrateCHEBI:48944RefChem:10875172-Methylpropanoate5711-69-3Propanoic acid, 2-methyl-, ion(1-)2-Methylpropionatei-butyrateiso-ButyrateCHEMBL1762641Isobutyratisobutric acidiPrCO2 anionisobutyric acid anionKQNPFQTWMSNSAP-UHFFFAOYSA-MDTXSID201295917BDBM50340058Q27104639

REACTIONS

参与反应

9 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2000_01 · 10.6084/m9.figshare.5104873.v1 · US06011145

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2006_04 · 10.6084/m9.figshare.5104873.v1 · US07030112B2

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