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名称

5-乙酰水杨酸甲酯

别名

5-乙酰基-2-羟基-苯甲酸甲酯

英文别名

TS-02756 | AC-11508 | Methyl 5-acetylsalicylate, 99% | STR08616 | AMY8850 | FT-0619939 | NSC67867 | NSC-67867 | 5-acetylsalicylic acid, methyl ester | ?METHYL 5-ACETYLSALICYLATE | 5-Acetyl-2-hydroxybenzoic Acid Methyl Ester | 5-acetyl-2-hydroxy-benzoic ac

英文名称

Methyl 5-acetylsalicylate

货号

M124774-10g

包装规格

10g

浓度

≥98%

运输条件

常规运输

CAS号

16475-90-4

分子式

C10H10O4

分子量

194.19 g/mol

Beilstein号

2643824

EC号

240-532-2

MDL号

MFCD00040924

PubChem编号

85444

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)O)C(=O)OC

IIUPAC Name

methyl 5-acetyl-2-hydroxybenzoate

INCHI

1S/C10H10O4/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-5,12H,1-2H3

InChi Key

XLSMGNNWSRNTIQ-UHFFFAOYSA-N

Smiles

CC(=O)C1=CC(=C(C=C1)O)C(=O)OC

PubChem SID

488186319

溶解性

Soluble in methanol.

熔点

60°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

194.058 Da

单同位素质量Monoisotopic Mass

194.058 Da

拓扑极表面积Topological Polar Surface Area

63.600 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

236

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

沸点

167°C/15mmHg

Reaxy-Rn

2643824

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

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「No related articles yet」

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