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Product details

名称

有机砌块

分子类型

小分子

英文别名

英文名称

5-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic acid

货号

D588688-100mg

包装规格

100mg

浓度

≥97%

储存温度

2-8°C储存,避光,干燥

运输条件

冰袋运输

CAS号

313701-92-7

分子式

C13H13NO3

分子量

231.25 g/mol

EC号

PubChem SID: 504760140

PubChem编号

776870

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C=C2)O)C(=O)O)C

IIUPAC Name

5-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzoic acid

INCHI

1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)

InChi Key

LBDOGIZEEBHJSE-UHFFFAOYSA-N

Smiles

CC1=CC=C(N1C2=CC(=C(C=C2)O)C(=O)O)C

PubChem SID

504760140

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

231.09 Da

单同位素质量Monoisotopic Mass

231.09 Da

拓扑极表面积Topological Polar Surface Area

62.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

284.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.700

Reaxy-Rn

11307364

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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