HCID239604

5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid

5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C11H12O2176.21 g/molCAS 4242-18-6

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cccc2c1CCCC2
InChIKey: GCFQXKYHWFWGSB-UHFFFAOYSA-N
分子式: C11H12O2
平均分子量: 176.21 g/mol
单同位素质量: 176.08372962

COMPUTED

结构计算性质

等待补全

XLogP: 2.8
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 200

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 42 条

4242-18-65,6,7,8-Tetrahydro-1-naphthalenecarboxylic acidRefChem:10721575,6,7,8-tetrahydronaphthalene-1-carboxylic acidMFCD014640305,6,7,8-tetrahydro-naphthalene-1-carboxylic acid5,6,7,8-TETRAHYDRO-1-NAPHTHOIC ACIDNSC 44874tetralin-5-carboxylic acid5,6,7,8-tetrahydronaphthalenecarboxylic acidNSC448741-Naphthoic acid, 5,6,7,8-tetrahydro-Palonosetron Impurity 28Oprea1_084710SCHEMBL7838691-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-SCHEMBL29493191DTXSID90286336CS-D0710AC-776

REACTIONS

参与反应

22 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 (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 (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 (8/10) · 10.1039/C8SC04228D

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uspto-grants-1977_03 · 10.6084/m9.figshare.5104873.v1 · US04011326

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uspto-grants-2002_04 · 10.6084/m9.figshare.5104873.v1 · US06380396B1

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