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Product details

名称

1-甲基-1H-吡唑并[3,4-b]吡啶-3-羧酸

英文别名

英文名称

1-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

货号

M172278-1g

包装规格

浓度

≥97%

储存温度

室温

运输条件

常规运输

CAS号

116855-09-5

分子式

C8H7N3O2

分子量

177.163 g/mol

MDL号

M172278

PubChem编号

14140175

Isomeric SMILES

CN1C2=C(C=CC=N2)C(=N1)C(=O)O

IIUPAC Name

1-methylpyrazolo[3,4-b]pyridine-3-carboxylic acid

INCHI

1S/C8H7N3O2/c1-11-7-5(3-2-4-9-7)6(10-11)8(12)13/h2-4H,1H3,(H,12,13)

InChi Key

WEZYUZRHWLFJDN-UHFFFAOYSA-N

Smiles

CN1C2=C(C=CC=N2)C(=N1)C(=O)O

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

177.054 Da

单同位素质量Monoisotopic Mass

177.054 Da

拓扑极表面积Topological Polar Surface Area

68.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

221.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

0.700

Reaxy-Rn

5520766

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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