HRID850446
uspto-grants-2000_01
作为反应物
uspto-grants-2000_01 · 10.6084/m9.figshare.5104873.v1 · US06017919
查看条件与参与物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
- XLogP
- 1.5
- 极性表面积
- 66.8 Ų
- 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
Collision Cross Section
129.74 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
ALIASES
名称与别名
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
HRID892620
uspto-grants-1992_06
作为反应物
uspto-grants-1992_06 · 10.6084/m9.figshare.5104873.v1 · US05118806
查看条件与参与物HRID1007621
uspto-grants-2004_09
作为反应物
uspto-grants-2004_09 · 10.6084/m9.figshare.5104873.v1 · US06794531B2
查看条件与参与物HRID1007622
uspto-grants-2004_09
作为反应物
uspto-grants-2004_09 · 10.6084/m9.figshare.5104873.v1 · US06794531B2
查看条件与参与物HRID1031889
uspto-grants-1990_09
作为反应物
uspto-grants-1990_09 · 10.6084/m9.figshare.5104873.v1 · US04956360
查看条件与参与物HRID1115584
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1153327
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1200381
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看条件与参与物