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名称

3-甲氧基-4-羟基扁桃酸

分子类型

小分子

别名

DL-4-羟基-3-甲氧基扁桃酸 | 香草扁桃酸,4-羟基-3-甲氧基苦杏仁酸, 4-羟基-3-甲氧基扁桃酸, VMA | 4-羟基-3-甲氧基-DL-扁桃酸 | 香草基扁桃酸

英文别名

英文名称

DL-4-Hydroxy-3-methoxymandelic acid

货号

D424695-1ml

包装规格

1ml

级别

Moligand™

浓度

10mM in DMSO

储存温度

-80℃储存

运输条件

超低温冰袋运输

敏感性

对空气敏感

生化机理

肾上腺素（Epinephrine）和去甲肾上腺素（norepineprine）代谢产物

CAS号

1955-10-7

分子式

C9H10O5

分子量

198.17 g/mol

Beilstein号

2213227

EC号

200-224-0

PubChem编号

1245

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)O)O)O

IIUPAC Name

2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid

INCHI

1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)

InChi Key

CGQCWMIAEPEHNQ-UHFFFAOYSA-N

Smiles

COC1=C(C=CC(=C1)C(C(=O)O)O)O

熔点

133-134° dec.

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

198.053 Da

单同位素质量Monoisotopic Mass

198.053 Da

拓扑极表面积Topological Polar Surface Area

87.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

205

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

-0.2

Reaxy-Rn

2213227

Merck Index

9933

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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