6-甲基吡啶-2-羧酸 | 934-60-1

中文名称:6-甲基吡啶-2-羧酸
英文名称:6-Methylpicolinic acid
CAS No.:934-60-1
分子式:C7H7NO2 分子量:137.135981798172
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名称和标识符
  • MDL:MFCD00023481
  • InChIKey:LTUUGSGSUZRPRV-UHFFFAOYSA-N
  • Inchi:1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)
  • SMILES:O=C(C1C=CC=C(C)N=1)O
中文别名
  • 6-甲基吡啶-2-羧酸
  • 6-甲基-2-吡啶甲酸
  • 6-甲基吡啶-2-甲酸
  • 6-甲基吡啶甲酸
  • 2-羧基-6-甲基吡啶
  • 6-甲基-2-吡啶羧酸
英文别名
  • 6-Methyl-2-pyridinecarboxylic acid
  • 6-Methylpyridine-2-carboxylic acid
  • 2-Pyridinecarboxylic acid, 6-methyl-
  • 6-methyl-2-picolinic acid
  • 6-Methylpicolinic acid
  • 2-Carboxy-6-methylpyridine
  • NSC 109143
  • NSC 26023
  • 2-Picoline-6-carboxylic acid
  • 6-methyl-2-picolinicacid
  • Picolinic acid, 6-methyl-
  • 6-methyl-picolinic acid
  • 6-methyl picolinic acid
  • LTUUGSGSUZRPRV-UHFFFAOYSA-N
  • KB675Y352L
  • 6-Methyl-pyridine-2-carboxylic acid
  • 2-METHYL-6-PYRIDINECARBOXYLIC ACID
  • 6-Methyl-2-pyridinecarboxylicacid
  • NSC
  • 6-Methyl-2-pyridinecarboxylic acid (ACI)
  • Picolinic acid, 6-methyl- (6CI, 7CI, 8CI)
  • 6-Methyl-3-picolinic acid
  • 6-Methylpicolinic Acid
计算特性
  • 精确分子量:137.04800
  • 氢键供体数量:1
  • 氢键受体数量:3
  • 可旋转化学键数量:1
  • 同位素质量:137.047678
  • 重原子数量:10
  • 复杂度:136
  • 同位素原子数量:0
  • 确定原子立构中心数量:0
  • 不确定原子立构中心数量:0
  • 确定化学键立构中心数量:0
  • 不确定化学键立构中心数量:0
  • 共价键单元数量:1
  • 疏水参数计算参考值(XlogP):1.1
  • 互变异构体数量:
  • 表面电荷:0
  • 拓扑分子极性表面积:50.2
实验特性
  • LogP:1.08820
  • PSA:50.19000
  • 折射率:1.561
  • 沸点:100 °C/4.5 mmHg(lit.)
  • 熔点:127.0 to 132.0 deg-C
  • 闪点:100℃/4.5mm
  • 颜色与性状:White to Yellow Solid
  • 溶解性:未确定
  • 密度:1.23
国际标准相关数据
  • EINECS:213-287-4
海关数据
  • 海关编码:2933399090
  • 海关数据:

    中国海关编码:

    2933399090

    概述:

    2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

    申报要素:

    品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

专业数据库参考
参考资料
  • Reaxys RN:112270
  • Beilstein:213-287-4
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