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名称

杂环砌块

英文名称

(3，5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methanol

货号

M699797-1g

包装规格

CAS号

58789-53-0

分子式

C12H14N2O

分子量

202.26 g/mol

PubChem编号

2526674

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CO

IIUPAC Name

(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol

INCHI

1S/C12H14N2O/c1-9-12(8-15)10(2)14(13-9)11-6-4-3-5-7-11/h3-7,15H,8H2,1-2H3

InChi Key

JMWWSNPRAOYPSF-UHFFFAOYSA-N

Smiles

CC1=C(C(=NN1C2=CC=CC=C2)C)CO

PubChem CID

2526674

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

202.111 Da

单同位素质量Monoisotopic Mass

202.111 Da

拓扑极表面积Topological Polar Surface Area

38.100 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

204.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.800

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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