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名称

3-羟基-4-甲基苯甲酸

别名

3-羟基对甲苯甲酸

英文别名

英文名称

3-Hydroxy-4-methylbenzoic Acid

货号

H123413-10g

包装规格

10g

浓度

≥98%

储存温度

充氩

运输条件

常规运输

敏感性

对空气敏感

CAS号

586-30-1

分子式

C8H8O3

分子量

152.15 g/mol

Beilstein号

1936497

EC号

209-571-2

MDL号

MFCD00002511

PubChem编号

68512

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)O

IIUPAC Name

3-hydroxy-4-methylbenzoic acid

INCHI

1S/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,10,11)

InChi Key

ZQLCWPXBHUALQC-UHFFFAOYSA-N

Smiles

CC1=C(C=C(C=C1)C(=O)O)O

PubChem SID

488184163

溶解性

Soluble in water (slightly).

熔点

209-212°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

152.047 Da

单同位素质量Monoisotopic Mass

152.047 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

155

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.5

Reaxy-Rn

1936497

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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