HCID53429597

3-Methyl-4-(methylsulfonyl)benzoic acid

3-methyl-4-methylsulfonylbenzoic acid

C9H10O4S214.24 g/molCAS 1186663-65-9

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IDENTITY

结构与身份

标准SMILES: Cc1cc(C(=O)O)ccc1S(C)(=O)=O
InChIKey: JVBNILACPMFONW-UHFFFAOYSA-N
分子式: C9H10O4S
平均分子量: 214.24 g/mol
单同位素质量: 214.02997997

COMPUTED

结构计算性质

已同步

XLogP: 0.5
极性表面积: 79.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 314

ALIASES

名称与别名

共 20 条

3-METHYL-4-(METHYLSULFONYL)BENZOIC ACID1186663-65-93-methyl-4-methylsulfonylbenzoic acidMFCD128287143-methyl-4-methylsulfonyl-benzoic acid4-methanesulfonyl-3-methylbenzoic acid3-Methyl-4-(methylsulfonyl)benzoicAcidSCHEMBL2590708JVBNILACPMFONW-UHFFFAOYSA-NDTXSID701280016LXB66365AKOS0221834764-(Methanesulfonyl)-3-methylbenzoic acidAS-32488SY006352DB-014562CS-0207862EN300-3574747F4465783-METHYL-4-(METHYLSULFONYL)BENZOIC ACID, 1186663-65-9, SCHEMBL2590708, JVBNILACPMFONW-UHFFFAOYSA-N, MolPort-028-960-879, AKOS022183476, 3-methyl-4-methylsulfonyl-benzoic acid, TRA0072011, AK-82602, SY006352, AB0065320, AJ-104573, DB-014562, KB-236571, TC-307463, K-1322

REACTIONS

参与反应

4 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08828996B2

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uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09181273B2

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08598164B2

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uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09365588B2

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