HCID92126

3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid

C10H10O4194.18 g/molCAS 537-73-5

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IDENTITY

结构与身份

标准SMILES: COc1ccc(C=CC(=O)O)cc1O
InChIKey: QURCVMIEKCOAJU-UHFFFAOYSA-N
分子式: C10H10O4
平均分子量: 194.18 g/mol
单同位素质量: 194.0579088

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 66.8 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 3
重原子: 14
形式电荷: 0
复杂度: 224

PROPERTIES

实验与物化性质

来源：PubChem

Collision Cross Section

129.74 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

ALIASES

名称与别名

共 31 条

3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acidRefChem:10667063-(3-Hydroxy-4-methoxyphenyl)acrylic acidSpectrum_001059SpecPlus_000233HESPERETIN_met016Spectrum3_000887Spectrum4_000979KBioGR_001357KBioSS_0015393-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acidDivK1c_006329SCHEMBL2490423-hydroxy4-methoxycinnamic acidSCHEMBL29626935KBio1_001273KBio2_001539KBio2_004107KBio2_006675KBio3_001774

REACTIONS

参与反应

17 条

uspto-grants-2000_01 · 10.6084/m9.figshare.5104873.v1 · US06017919

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uspto-grants-1992_06 · 10.6084/m9.figshare.5104873.v1 · US05118806

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uspto-grants-2004_09 · 10.6084/m9.figshare.5104873.v1 · US06794531B2

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uspto-grants-2004_09 · 10.6084/m9.figshare.5104873.v1 · US06794531B2

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uspto-grants-1990_09 · 10.6084/m9.figshare.5104873.v1 · US04956360

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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