主记录
3-ethynyl-4-methylbenzoic acid
- CAS
- 1001203-03-7
- PubChem CID
- 58945679
- SMILES
- CC1=C(C=C(C=C1)C(=O)O)C#C
- 分子式
- C10H8O2
- 分子量
- 160.172
- 精确分子量
- 160.0524
- InChI
- InChI=1S/C10H8O2/c1-3-8-6-9(10(11)12)5-4-7(8)2/h1,4-6H,2H3,(H,11,12)
- InChIKey
- FXLGXUBFIWFPJA-UHFFFAOYSA-N
- LogP
- 1.6745
- TPSA
- 37.3
名称与别名
- 3-ethynyl-4-methylbenzoic acid
- 3-Ethynyl-4-methyl-benzoic acid
- 1001203-03-7
- RefChem:501515
- MFCD20646092
- 3-ethynyl-4-methylbenzoicacid
- C10H8O2
- SCHEMBL9609642
- FXLGXUBFIWFPJA-UHFFFAOYSA-N
- 2271AJ
- AKOS027322983
- ZINC202607325
- DA-23620
- SY290232
- FT-0733692
- F87749
- EN300-4283499
- A938002
- F980419
- Z1262529010
- 966-043-0