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名称

有机砌块

别名

5-羟基-1-甲基吡唑 | 1-甲基-1H-吡唑-5-醇

英文别名

英文名称

5-Hydroxy-1-methyl-1H-pyrazole

货号

H133658-100g

包装规格

100g

储存温度

2-8°C储存,充氩

运输条件

冰袋运输

敏感性

对空气敏感

CAS号

33641-15-5

分子式

C4H6N2O

分子量

98.1 g/mol

MDL号

MFCD05864418

PubChem编号

10986160

Isomeric SMILES

CN1C(=O)C=CN1

IIUPAC Name

2-methyl-1H-pyrazol-3-one

INCHI

1S/C4H6N2O/c1-6-4(7)2-3-5-6/h2-3,5H,1H3

InChi Key

JMARSTSWTFXHMC-UHFFFAOYSA-N

Smiles

CN1C(=O)C=CN1

PubChem SID

504765838

熔点

110-114 °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

98.048 Da

单同位素质量Monoisotopic Mass

98.048 Da

拓扑极表面积Topological Polar Surface Area

32.299 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

119.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

-0.100

Reaxy-Rn

606202

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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