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Product details

名称

有机砌块

分子类型

小分子

英文名称

1，3-Di(4-carboxyphenyl)benzene

货号

D768435-100mg

包装规格

100mg

浓度

≥98%

储存温度

2-8°C储存,干燥

运输条件

冰袋运输

CAS号

13215-72-0

分子式

C20H14O4

分子量

318.3 g/mol

PubChem编号

12378414

Isomeric SMILES

C1=CC(=CC(=C1)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

IIUPAC Name

4-[3-(4-carboxyphenyl)phenyl]benzoic acid

INCHI

1S/C20H14O4/c21-19(22)15-8-4-13(5-9-15)17-2-1-3-18(12-17)14-6-10-16(11-7-14)20(23)24/h1-12H,(H,21,22)(H,23,24)

InChi Key

KFHMRRYUOBRPAA-UHFFFAOYSA-N

Smiles

C1=CC(=CC(=C1)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

PubChem CID

12378414

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

318.089 Da

单同位素质量Monoisotopic Mass

318.089 Da

拓扑极表面积Topological Polar Surface Area

74.600 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

405

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.2

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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