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名称

5-羟基烟酸甲酯

分子类型

小分子

别名

5-羟基-3-吡啶羧酸甲酯

英文别名

5-hydroxy nicotinic acid methyl ester | AB04590 | FT-0655068 | NSC605540 | NSC-605540 | H0841 | Methyl 5-hydroxy-3-pyridinecarboxylate, 97% | SCHEMBL342817 | Methyl 5-hydroxynicotinate | methyl 5-hydroxynicotinate- | methyl-5-hydroxypyridine-3-carboxylate

英文名称

5-Hydroxynicotinic Acid Methyl Ester

货号

H128111-100g

包装规格

100g

浓度

≥98%

储存温度

充氩

运输条件

常规运输

CAS号

30766-22-4

分子式

C7H7NO3

分子量

153.14 g/mol

Beilstein号

22(5)5,113

MDL号

MFCD00191521

PubChem编号

354317

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)O

IIUPAC Name

methyl 5-hydroxypyridine-3-carboxylate

INCHI

1S/C7H7NO3/c1-11-7(10)5-2-6(9)4-8-3-5/h2-4,9H,1H3

InChi Key

KJJSHOHQQHACLE-UHFFFAOYSA-N

Smiles

COC(=O)C1=CC(=CN=C1)O

PubChem SID

488189628

熔点

190 °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

153.043 Da

单同位素质量Monoisotopic Mass

153.043 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

149.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

0.300

Reaxy-Rn

473048

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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