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Product details

名称

3-乙基-4-甲酰基苯基硼酸

英文别名

英文名称

3-Ethyl-4-formylphenylboronic acid

货号

E180382-5g

包装规格

浓度

≥98%

储存温度

室温

运输条件

常规运输

CAS号

1218790-94-3

分子式

C9H11BO3

分子量

178 g/mol

PubChem编号

49761747

Isomeric SMILES

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

IIUPAC Name

(3-ethyl-4-formylphenyl)boronic acid

INCHI

1S/C9H11BO3/c1-2-7-5-9(10(12)13)4-3-8(7)6-11/h3-6,12-13H,2H2,1H3

Smiles

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

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

178.08 Da

单同位素质量Monoisotopic Mass

178.08 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

172.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

Reaxy-Rn

22773136

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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