CAS 123-33-1|1,2,3,6-tetrahydropyridazine-3,6-dione|Pyridazine-3,6-diol|1,2-Dihydropyridazine-3,6-dione|3,6-Dihydroxypyridazine|maleic hydrazide|NSC 234167|Yake|Sorbatran|MH|Maleic Hydrazide|NSC 882...

基本信息

化学结构

分子式

C₄H₄N₂O₂

分子量

112.08676

精确质量

112.02727738

电荷

InChI

InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)

InChIKey

BGRDGMRNKXEXQD-UHFFFAOYSA-N

Canonic Smiles

O=c1ccc(=O)[nH][nH]1

Isomeric Smiles

[nH]1c(=O)ccc(=O)[nH]1

计算属性

JChem

Acid pKa

10.380234

质子受体

质子供体

LogD (pH = 5.5)

-1.2139657

LogD (pH = 7.4)

-1.2143631

Log P

-1.2139606

摩尔折射率

26.6514

极化性

9.667973

极化表面积

58.2

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

1,2,3,6-tetrahydropyridazine-3,6-dione

别名

Pyridazine-3,6-diol1,2-Dihydropyridazine-3,6-dione3,6-DihydroxypyridazineNSC 234167YakeSorbatranMHMaleic HydrazideNSC 8823Malzid6-Hydroxy-3(2H)-pyridazinone3,6-PyridazinediolAntyrostMaleic Cyclic HydrazideNSC 13892NSC 488323,6-DioxopyridazineMAHRoyal Slo-GroMazideMaleic Acid Cyclic HydrazideMalepin1,2-Dihydro-3,6-pyridazinedioneYadiAntergonRegulox 361,2-二氢-3,6-哒嗪二酮3,6-哒嗪二醇3,6-二羟基哒嗪MALEIC ACID HYDRAZIDEMaleic hydrazide马来酰肼

IUPAC传统名

maleic hydrazide stuntman

名称和标识

数据登录号

CAS号

123-33-1

EC号

204-619-9

Beilstein号

112223

PubChem SID

248933732488250524869075162076270