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Product details

名称

杂环砌块

英文别名

英文名称

Methyl 2-(hydroxymethyl)isonicotinate

货号

M194075-100mg

包装规格

100mg

储存温度

2-8°C储存

运输条件

冰袋运输

CAS号

58481-17-7

分子式

C8H9NO3

分子量

167.16 g/mol

PubChem编号

13276248

Isomeric SMILES

COC(=O)C1=CC(=NC=C1)CO

IIUPAC Name

methyl 2-(hydroxymethyl)pyridine-4-carboxylate

INCHI

1S/C8H9NO3/c1-12-8(11)6-2-3-9-7(4-6)5-10/h2-4,10H,5H2,1H3

InChi Key

PBBNEARCAGHGCQ-UHFFFAOYSA-N

Smiles

COC(=O)C1=CC(=NC=C1)CO

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

167.058 Da

单同位素质量Monoisotopic Mass

167.058 Da

拓扑极表面积Topological Polar Surface Area

59.400 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

160.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

-0.100

Reaxy-Rn

473381

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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