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Product details

名称

(±)扁桃酸甲酯

分子类型

小分子

别名

DL-扁桃酸甲酯 | α-羟基苯乙酸甲酯

英文别名

英文名称

Methyl DL-mandelate

货号

M107081-10g

包装规格

10g

浓度

≥97%

运输条件

常规运输

CAS号

4358-87-6

分子式

C9H10O3

分子量

166.17 g/mol

Beilstein号

2047558

EC号

224-434-7

MDL号

MFCD00004493

PubChem编号

78066

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)O

IIUPAC Name

methyl 2-hydroxy-2-phenylacetate

INCHI

1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3

InChi Key

ITATYELQCJRCCK-UHFFFAOYSA-N

Smiles

COC(=O)C(C1=CC=CC=C1)O

PubChem SID

488185503

溶解性

Soluble in methanol (0.1 g/ml).

熔点

54-58°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

166.063 Da

单同位素质量Monoisotopic Mass

166.063 Da

拓扑极表面积Topological Polar Surface Area

46.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

150

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.2

密度

1.182

闪点(℃)

>110 °C

沸点

135 °C/12 mmHg

Reaxy-Rn

2047558

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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