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名称

杂环砌块

分子类型

小分子

英文别名

A846513 | J-509936 | STK312463 | FT-0687732 | DS-1315 | SCHEMBL5531898 | EN300-132327 | methyl1-methyl-1H-pyrazole-5-carboxylate | MFCD04967357 | 1-methyl-5-methoxycarbonyl pyrazole | 1H-Pyrazole-5-carboxylic acid, 1-methyl-, methyl ester | 2-Methyl-2H-py

英文名称

Methyl 1-methyl-1H-pyrazole-5-carboxylate

货号

M175026-1g

包装规格

储存温度

2-8°C储存

运输条件

冰袋运输

CAS号

17827-60-0

分子式

C6H8N2O2

分子量

140.14 g/mol

PubChem编号

7017174

Isomeric SMILES

CN1C(=CC=N1)C(=O)OC

IIUPAC Name

methyl 2-methylpyrazole-3-carboxylate

INCHI

1S/C6H8N2O2/c1-8-5(3-4-7-8)6(9)10-2/h3-4H,1-2H3

InChi Key

CECCPWAWRYFLOA-UHFFFAOYSA-N

Smiles

CN1C(=CC=N1)C(=O)OC

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

140.059 Da

单同位素质量Monoisotopic Mass

140.059 Da

拓扑极表面积Topological Polar Surface Area

44.100 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

138.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

0.400

Reaxy-Rn

742857

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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