HCID14541

2-Methyl-3-phenylprop-2-enoic acid

C10H10O2162.18 g/molCAS 1199-77-5

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IDENTITY

结构与身份

标准SMILES: CC(=Cc1ccccc1)C(=O)O
InChIKey: XNCRUNXWPDJHGV-UHFFFAOYSA-N
分子式: C10H10O2
平均分子量: 162.18 g/mol
单同位素质量: 162.06807956

COMPUTED

结构计算性质

已同步

XLogP: 2.2
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: 188

ALIASES

名称与别名

共 16 条

2-methyl-3-phenylprop-2-enoic acidALPHA-METHYL CINNAMIC ACIDmethylcinnamic acidalpha-methyl-cinnamic acidI+/--Methylcinnamic acid(E)-?-Methylcinnamic acidSCHEMBL37034SCHEMBL15821881DTXSID20870863CHEBI:191937XNCRUNXWPDJHGV-UHFFFAOYSA-NBAA895972-Methyl-3-phenyl-2-propenoic aci2-methyl-3-phenyl-prop-2-enoic acidDB-022463M1336

REACTIONS

相关反应

25 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723457

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723602

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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 (2/10) · 10.1039/C8SC04228D

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uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05646276

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

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uspto-grants-1999_01 · 10.6084/m9.figshare.5104873.v1 · US05856477

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uspto-grants-1999_01 · 10.6084/m9.figshare.5104873.v1 · US05856476

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