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Product details

名称

4,6-二甲基烟酸

分子类型

小分子

英文别名

英文名称

4,6-Dimethylnicotinic acid

货号

D192108-1g

包装规格

浓度

≥98%

储存温度

2-8°C储存,充氩

运输条件

冰袋运输

CAS号

22047-86-5

分子式

C8H9NO2

分子量

151.16 g/mol

PubChem编号

817290

Isomeric SMILES

CC1=CC(=NC=C1C(=O)O)C

IIUPAC Name

4,6-dimethylpyridine-3-carboxylic acid

INCHI

1S/C8H9NO2/c1-5-3-6(2)9-4-7(5)8(10)11/h3-4H,1-2H3,(H,10,11)

InChi Key

DNXREYUMWKSTJU-UHFFFAOYSA-N

Smiles

CC1=CC(=NC=C1C(=O)O)C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

151.063 Da

单同位素质量Monoisotopic Mass

151.063 Da

拓扑极表面积Topological Polar Surface Area

50.200 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

158

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.1

Reaxy-Rn

122913

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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