HCID736514

1,3,5-trimethyl-1H-pyrazole-4-carboxylic acid

1,3,5-trimethylpyrazole-4-carboxylic acid

C7H10N2O2154.17 g/molCAS 1125-29-7

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IDENTITY

结构与身份

标准SMILES: Cc1nn(C)c(C)c1C(=O)O
InChIKey: NOIOGQJFLIPRBI-UHFFFAOYSA-N
分子式: C7H10N2O2
平均分子量: 154.17 g/mol
单同位素质量: 154.07422757

COMPUTED

结构计算性质

等待补全

XLogP: 0.6
极性表面积: 55.1 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 172

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 36 条

1,3,5-trimethyl-1H-pyrazole-4-carboxylic acidDTXSID60353049RefChem:412651DTXCID603041121125-29-71,3,5-trimethylpyrazole-4-carboxylic acidMFCD001596481H-Pyrazole-4-carboxylic acid, 1,3,5-trimethyl-trimethyl-1H-pyrazole-4-carboxylic acidF2169-0533SDCCGMLS-0064499.P0014-carboxy-1,3,5-trimethyl-1H-pyrazoleCambridge id 5264152orb1296824orb1940065SCHEMBL1335845NOIOGQJFLIPRBI-UHFFFAOYSA-NSMSSF-0533657ALBB-000004SBB020155

REACTIONS