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名称

3,5-二甲氧基苯甲酸

分子类型

小分子

英文别名

NSC 43744 | FT-0614640 | Z104476958 | 3,5-dimethoxy benzoic acid | NSC43744 | NSC-43744 | SY005660 | Benzoic acid, 3,5-dimethoxy- | BS-3988 | CHEBI:142601 | AI3-52341 | SCHEMBL503889 | EN300-20119 | InChI=1/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1

英文名称

3,5-Dimethoxybenzoic Acid

货号

D123419-10g

包装规格

10g

浓度

≥99%

运输条件

常规运输

CAS号

1132-21-4

分子式

C9H10O4

分子量

182.17 g/mol

Beilstein号

511834

EC号

214-473-8

MDL号

MFCD00002502

PubChem编号

14332

Isomeric SMILES

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

IIUPAC Name

3,5-dimethoxybenzoic acid

INCHI

1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)

InChi Key

IWPZKOJSYQZABD-UHFFFAOYSA-N

Smiles

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

PubChem SID

488181978

熔点

182.0-187.0°C

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

182.058 Da

单同位素质量Monoisotopic Mass

182.058 Da

拓扑极表面积Topological Polar Surface Area

55.800 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

168.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.200

Reaxy-Rn

511834

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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