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名称

对苯二甲酸单甲酯

分子类型

小分子

英文别名

BCP08782 | Acetic acid, (4-carboxyphenyl)- | A3718 | Q27278662 | W-107904 | NSC210838 | NSC-210838 | 4Methoxycarbonylbenzenecarboxylic acid | 4-Methoxycarbonylbenzenecarboxylic acid | EN300-21137 | Terephthalic acid monomethyl ester | terphthalic acid mon

英文名称

mono-Methyl terephthalate

货号

M106178-10g

包装规格

10g

浓度

≥97%

储存温度

干燥

运输条件

常规运输

CAS号

1679-64-7

分子式

C9H8O4

分子量

180.16 g/mol

Beilstein号

1911082

EC号

216-849-7

MDL号

MFCD00002557

PubChem编号

15513

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)O

IIUPAC Name

4-methoxycarbonylbenzoic acid

INCHI

1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)

InChi Key

REIDAMBAPLIATC-UHFFFAOYSA-N

Smiles

COC(=O)C1=CC=C(C=C1)C(=O)O

PubChem SID

488182134

溶解性

微溶于水；可溶于甲醇、乙醚、苯

熔点

222°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

180.042 Da

单同位素质量Monoisotopic Mass

180.042 Da

拓扑极表面积Topological Polar Surface Area

63.600 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

204

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.9

密度

1.288

Reaxy-Rn

1911082

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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