HCID86699

1-Cyclohexene-1-acetic acid

2-(cyclohexen-1-yl)acetic acid

C8H12O2140.18 g/molCAS 18294-87-6

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IDENTITY

结构与身份

标准SMILES: O=C(O)CC1=CCCCC1
InChIKey: KDFBPHXESBPHTK-UHFFFAOYSA-N
分子式: C8H12O2
平均分子量: 140.18 g/mol
单同位素质量: 140.08372962

COMPUTED

结构计算性质

等待补全

XLogP: 1.5
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: 10
形式电荷: 0
复杂度: 159

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 39 条

1-Cyclohexenylacetic acid18294-87-61-Cyclohexene-1-acetic acidAI3-28150EINECS 242-172-1NSC 14103DTXSID7066356RefChem:75480DTXCID0035821KDFBPHXESBPHTK-UHFFFAOYSA-N2-(cyclohex-1-en-1-yl)acetic acid2-(cyclohexen-1-yl)acetic acidCyclohex-1-enylacetic acidMFCD00015482NSC-141032-cyclohex-1-enylacetic acid1-Cyclohexene-1-aceticacid1-Cyclohexenylaceticacidcyclohexenylacetic acidZ4TQJ9EW4S

REACTIONS

参与反应

33 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06849650B2

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uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07390801B2

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06211235B1

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uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06211235B1

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uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06559141B2

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uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06313152B1

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uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06667305B1

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