Basic information
- CAS
10441-26-6- Standard SMILES
CC(=O)n1c(C(=O)O)cc2ccccc21- InChIKey
KXHBYSRUWPZBMF-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- 1-acetylindole-2-carboxylic Acid
- IUPAC
- 1-acetylindole-2-carboxylic acid
- English name
- 1-Acetylindole-2-carboxylic acid
- Molecular formula
- C11H9NO3
- Molecular weight
- 203.19
Names & synonyms
10441-26-61-acetylindole-2-carboxylic Acid1-Acetyl-1H-indole-2-carboxylic acidN-Acetyl-indole-2-carboxylic acidMFCD022589171H-Indole-2-carboxylic acid, 1-acetyl-N-acetyl-1H-indole-2-carboxylic acidSCHEMBL42222821-acetylindole-2carboxylic acidN-acetyl-2-indolecarboxylic acidDTXSID40436889KXHBYSRUWPZBMF-UHFFFAOYSA-N
Show more names
CS-M18511-Acetyl-1H-indole-2-carboxylicacidAKOS007930215AC-23520CS-14340SY013323DB-059131F789392
Database identifiers
- CAS
10441-26-6- PubChem CID
- 10219867
- DTXSID
DTXSID40436889
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 400.4 · 400.4±18.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.37 · 4.37±0.30(Predicted)
- HS Code
- 29339990 · 29339990
Safety & regulation
Safety data
- hs_code
- 29339990
Chemistry & industry
Suppliers24 total
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
北京伊万景瑞生物科技有限公司
Related reactions
6 records
Compound notes
Loading…