HCID2771107

(3-Phenyl-1-adamantyl)acetic acid

2-(3-phenyl-1-adamantyl)acetic acid

C18H22O2270.4 g/molCAS 161036-56-2

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IDENTITY

结构与身份

标准SMILES: O=C(O)CC12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIKey: HUDYINFVSMWUNU-UHFFFAOYSA-N
分子式: C18H22O2
平均分子量: 270.4 g/mol
单同位素质量: 270.16197994

COMPUTED

结构计算性质

已同步

XLogP: 4.7
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 3
重原子: 20
形式电荷: 0
复杂度: 394

ALIASES

名称与别名

共 21 条

(3-Phenyl-1-adamantyl)acetic acid161036-56-22-(3-phenyl-1-adamantyl)acetic AcidF1924-00372-(3-PHENYLADAMANTAN-1-YL)ACETIC ACIDSCHEMBL29486833-Phenyl-l-adamantaneacetic acidDTXSID90377915HUDYINFVSMWUNU-UHFFFAOYSA-NSMSSF-00442912-(3-phenyladamantanyl)acetic acid(3-phenyl-1-adamantanyl)acetic acidAKOS002234804AKOS016128191AB87314DB-388885(3-PHENYLADAMANTAN-1-YL)ACETIC ACIDST50108899EN300-297482SR-01000282191

REACTIONS