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Basic information
- CAS
108507-42-2- Standard SMILES
O=C(O)C1CC2CCCCC2N1- InChIKey
CQYBNXGHMBNGCG-UHFFFAOYSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
Overview
structure in first source
Names & identifiers
- Preferred name
- Octahydroindole-2-carboxylic acid
- IUPAC
- 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
Names & synonyms
Octahydroindole-2-Carboxylic AcidRefChem:928114octahydro-1H-indole-2-carboxylic acid82717-40-680828-13-3Octahydro-indole-2-carboxylic acidL-Octahydroindole-2-carboxylic acid2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic AcidMFCD00171406108507-42-2(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic AcidD-Octahydroindole-2-carboxylic acid
Show more names
1H-Indole-2-carboxylicacid,octahydro-(9CI)rel-(2S, 3aR,7aR)-Octahydro-indole-2-carboxylic acidSCHEMBL444971H-Indole-2-carboxylic acid, octahydro-, (2R,3aR,7aR)-rel-2-perhydroindolecarboxylic acidCS-WAA0106SCHEMBL1414032SCHEMBL2319669
Database identifiers
- CAS
108507-42-2、80875-98-5- PubChem CID
- 3274680
- EC Number
- 600-874-9
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Chemistry & industry
Suppliers37 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海嘉莱多生物技术有限责任公司021-61732478 19946252459 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
Related reactions
6 records
Compound notes
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