主记录
3-AMINO-5-CYANOBENZOIC ACID
- CAS
- 1000341-18-3
- PubChem CID
- 24729340
- SMILES
- C1=C(C=C(C=C1C(=O)O)N)C#N
- 分子式
- C8H6N2O2
- 分子量
- 162.148
- 精确分子量
- 162.0429
- InChI
- InChI=1S/C8H6N2O2/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3H,10H2,(H,11,12)
- InChIKey
- CCWVOHSNQZFXQU-UHFFFAOYSA-N
- LogP
- 0.8387
- TPSA
- 87.11
名称与别名
- 3-AMINO-5-CYANOBENZOIC ACID
- 1000341-18-3
- Benzoic acid, 3-amino-5-cyano-
- 3-Amino-5-cyanorobenzoic acid
- MFCD09263225
- 3-amino-5-cyano-benzoic acid
- C8H6N2O2
- SCHEMBL13674520
- DTXSID701310582
- 3-AMINO-5-CYANOBENZOICACID
- ZINC14985993
- AKOS006330681
- AB50174
- CS-13384
- SY422409
- 3-amino-5-cyano-benzoic acid methyl ester
- DB-183274
- CS-0030477
- C11272
- EN300-749484
- W-1069
- F601348
- 199536-01-1