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Product details

名称

1H-吡唑并[3,4-b]吡啶-5-羧酸甲酯

英文别名

英文名称

methyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate

货号

M172479-1g

包装规格

浓度

≥97%

储存温度

室温

运输条件

常规运输

CAS号

1196156-42-9

分子式

C8H7N3O2

分子量

177.163 g/mol

MDL号

M172479

PubChem编号

57415679

Isomeric SMILES

COC(=O)C1=CN=C2C(=C1)C=NN2

IIUPAC Name

methyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate

INCHI

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

InChi Key

WAYSJYROSIMXRC-UHFFFAOYSA-N

Smiles

COC(=O)C1=CN=C2C(=C1)C=NN2

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

67.900 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

210.000

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

26770545

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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