HCID75329

Monoperoxyphthalic acid

2-carbonoperoxoylbenzoic acid

C8H6O5182.13 g/molCAS 2311-91-3

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1ccccc1C(=O)OO
InChIKey: GLVYLTSKTCWWJR-UHFFFAOYSA-N
分子式: C8H6O5
平均分子量: 182.13 g/mol
单同位素质量: 182.02152329

COMPUTED

结构计算性质

已同步

XLogP: 0.6
极性表面积: 83.8 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 3
重原子: 13
形式电荷: 0
复杂度: 213

HAZARDS

危害信息

Hazards Summary

See 3-Chloroperoxybenzoic acid. See Benzoic acid.

ALIASES

名称与别名

共 31 条

2311-91-3Monoperphthalic acidBenzenecarboperoxoic acid, 2-carboxy-MONOPEROXYPHTHALIC ACIDZ3STZ5UZ5PNSC-240744DTXSID3075200RefChem:819345DTXCID3036812219-003-5Perphthalic acid2-carboperoxybenzoic acid2-carbonoperoxoylbenzoic acidMonoperoxyphthalicAcidperphthalatemonoperphtalic acidEINECS 219-003-5mono-perphthalic acidNSC 240744UNII-Z3STZ5UZ5P

REACTIONS

相关反应

20 条

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

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uspto-grants-1991_03 · 10.6084/m9.figshare.5104873.v1 · US04999362

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07132560B2

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07132560B2

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07132560B2

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uspto-grants-2007_08 · 10.6084/m9.figshare.5104873.v1 · US07252849B2

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

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