HCID2743

Chrysanthemic Acid

2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid

C10H16O2168.23 g/molCAS 10453-89-1

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IDENTITY

结构与身份

标准SMILES: CC(C)=CC1C(C(=O)O)C1(C)C
InChIKey: XLOPRKKSAJMMEW-UHFFFAOYSA-N
分子式: C10H16O2
平均分子量: 168.23 g/mol
单同位素质量: 168.11502975

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 234

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1283；1343.2

Collision Cross Section

130 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS

GHS分类

来源：PubChem

GHS Classification

Not Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Not Classified

USES

用途与制造

来源：PubChem

General Manufacturing Information

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-: INACTIVE

ALIASES

名称与别名

共 105 条

CHRYSANTHEMIC ACID10453-89-1Chrysanthemumic acidChrysanthemummonocarboxylic acid2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acidCHEBI:3680DTXSID30871866774IH300I2Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-RefChem:125954chrysanthemic acid, (+,-)DTXCID90819481233-941-2NSC 117792,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acidD,L-cis,trans-Chrysanthemic acidMFCD000576983-Isobutenyl-2,2-dimethylcyclopropanecarboxylic acid2-(1-Isobutenyl)-3,3-dimethylcyclopropanecarboxylic acid

REACTIONS

参与反应

32 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1987_02 · 10.6084/m9.figshare.5104873.v1 · US04644080

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uspto-grants-1983_03 · 10.6084/m9.figshare.5104873.v1 · US04376784

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