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名称

3,5-二甲基异噁唑-4-羧酸

英文别名

AM20090290 | STK288427 | D4603 | 3,5-Dimethylisoxasole-4-carboxylicacid | MFCD00051657 | SY007292 | 3,5-Dimethyl-4-isoxazolecarboxylic acid # | BB 0240552 | FT-0614696 | Ceraphyl 28 | W-206926 | 3,5-Dimethyl-isoxazole-4-carboxylic acid | 3,5-Dimethylisoxa

英文名称

3,5-Dimethylisoxazole-4-carboxylic acid

货号

D123072-100g

包装规格

100g

浓度

≥98%

运输条件

常规运输

CAS号

2510-36-3

分子式

C6H7NO3

分子量

141.12 g/mol

Beilstein号

115819

EC号

219-724-5

MDL号

MFCD00051657

PubChem编号

75636

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)O

IIUPAC Name

3,5-dimethyl-1,2-oxazole-4-carboxylic acid

INCHI

1S/C6H7NO3/c1-3-5(6(8)9)4(2)10-7-3/h1-2H3,(H,8,9)

InChi Key

IJEUISLJVBUNRE-UHFFFAOYSA-N

Smiles

CC1=C(C(=NO1)C)C(=O)O

PubChem SID

504754971

溶解性

可溶于甲醇

熔点

140-142°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

141.043 Da

单同位素质量Monoisotopic Mass

141.043 Da

拓扑极表面积Topological Polar Surface Area

63.300 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

148.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

0.700

Reaxy-Rn

115819

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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