HCID57835749

Methyl 3-(4-hydroxyphenyl)hex-4-ynoate

C13H14O3218.25 g/mol

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IDENTITY

结构与身份

标准SMILES: CC#CC(CC(=O)OC)c1ccc(O)cc1
InChIKey: BENPHURJTUUUSX-UHFFFAOYSA-N
分子式: C13H14O3
平均分子量: 218.25 g/mol
单同位素质量: 218.0942943

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 4
重原子: 16
形式电荷: 0
复杂度: 289

ALIASES

名称与别名

共 17 条

methyl 3-(4-hydroxyphenyl)hex-4-ynoate865234-02-2Methyl3-(4-hydroxyphenyl)hex-4-ynoateMFCD24713927(3R)-3-(4-Hydroxyphenyl)-4-hexynoicAcidMethylEsterSCHEMBL223922BENPHURJTUUUSX-UHFFFAOYSA-NZB1463AKOS027323452CS-W004421Methyl 3-(4-Hydroxyphenyl)-4-hexynoateDS-11332methyl 3-(4-hydroxy-phenyl)hex-4-ynoateDB-297895O11885F7907423-(4-Hydroxy-phenyl)-hex-4-ynoic acid methyl ester

REACTIONS