2564-86-5 ((Methyl, hydroxyoxo-(9CI))

快速询单

结构式：

Methyl, hydroxyoxo-(9CI)MOL文件

CAS号：

2564-86-5

英文名称：

Methyl, hydroxyoxo-(9CI)

分子式：

CHO₂

分子量：

45.0174405574799

Methyl, hydroxyoxo-(9CI)(2564-86-5)名称与标识符

名称

英文别名：

Methyl, hydroxyoxo-(9CI);λ<sup>1</sup>-oxidanylformaldehyde;DTXSID30180329;Hydrocarboxyl radical;hydroxyoxomethyl;HOCO(.);carboxy;CHEBI:29326;2564-86-5;.COOH;hydroxycarbonyl;

标识符

InChIKey：

ORTFAQDWJHRMNX-UHFFFAOYSA-N

Inchi：

1S/CHO2/c2-1-3/h(H,2,3)

SMILES：

O[C]=O |^1:1|

Methyl, hydroxyoxo-(9CI)(2564-86-5)物化性质

实验特性

PSA : 37.3

计算特性

精确分子量 : 46.00546
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 44.997654270g/mol
重原子数量 : 3
复杂度 : 10.3
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -0.2
拓扑分子极性表面积 : 37.3Å²

Methyl, hydroxyoxo-(9CI)(2564-86-5)相关文献

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6. A computer simulation study of sorption of model flotation reagents to planar and stepped {111} surfaces of calcium fluoride
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1633-56-3(甲酸-13C) 71-47-6(甲酸离子) 67254-79-9(植物油脂肪酸) 80235-10-5(2-羟基-4-(羟基甲基)苯甲酸甲酯) 80290-18-2(5-溴-6-氟-2-甲基喹啉) 80261-93-4(Ethanone, 1-(4-amino-2-methylphenyl)-2-chloro- (9CI)) 80270-68-4(N-(1,2,3,4-四氢-8-甲氧基-2-萘基)乙酰胺) 8030-53-3(赤霉素 D)

结构相似化合物

甲酸-13C
CAS: 1633-56-3
甲酸离子
CAS: 71-47-6
植物油脂肪酸
CAS: 67254-79-9
2-羟基-4-(羟基甲基)苯甲酸甲酯
CAS: 80235-10-5
5-溴-6-氟-2-甲基喹啉
CAS: 80290-18-2
Ethanone, 1-(4-amino-2-methylphenyl)-2-chloro- (9CI)
CAS: 80261-93-4
N-(1,2,3,4-四氢-8-甲氧基-2-萘基)乙酰胺
CAS: 80270-68-4
赤霉素 D
CAS: 8030-53-3

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