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名称

间羟基苯甲酸

分子类型

小分子

英文别名

meta-hydroxybenzoate | 713EC407-4844-477D-8207-DBD66E398D2C | C00587 | 3-Carboxyphenol | NSC55746 | NSC-55746 | m-salicylate | NCGC00248676-01 | EINECS 202-726-5 | PD144440 | SCHEMBL40078 | EN300-17318 | HY-W004049 | Tox21_200527 | BDBM50336491 | 3-Hydrox

英文名称

3-Hydroxybenzoic acid

货号

H427216-1ml

包装规格

1ml

浓度

10mM in DMSO

储存温度

避光,-80℃储存

运输条件

超低温冰袋运输

敏感性

对光敏感

产品介绍

易溶于热水，溶于乙醇和乙醚，微溶于冷水，不溶于苯。。半数致死量(大鼠，腹腔)3700mg/kg。有刺激性。

CAS号

1999-6-9

分子式

C7H6O3

分子量

138.12 g/mol

Beilstein号

508160

EC号

202-726-5

PubChem编号

7420

Isomeric SMILES

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

IIUPAC Name

3-hydroxybenzoic acid

INCHI

1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)

InChi Key

IJFXRHURBJZNAO-UHFFFAOYSA-N

Smiles

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

熔点

201-207℃

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

138.032 Da

单同位素质量Monoisotopic Mass

138.032 Da

拓扑极表面积Topological Polar Surface Area

57.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

133

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.5

闪点(℃)

220℃

Reaxy-Rn

508160

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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