Basic information
- CAS
484654-49-1- Standard SMILES
O=C(O)C1CC1c1ccncc1- InChIKey
YFOFMIZNXREQAS-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- 2-(Pyridin-4-yl)cyclopropane-1-carboxylic acid
- IUPAC
- 2-pyridin-4-ylcyclopropane-1-carboxylic acid
- English name
- 2-(4-pyridinyl)Cyclopropanecarboxylic acid
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
484654-49-12-(pyridin-4-yl)cyclopropane-1-carboxylic acid2-(pyridin-4-yl)cyclopropanecarboxylic acid2-Pyridin-4-yl-cyclopropanecarboxylic acid2-(4-pyridyl)cyclopropanecarboxylic acidMFCD119344892-pyridin-4-ylcyclopropane-1-carboxylic acid2-(4-pyridinyl)Cyclopropanecarboxylic acidSCHEMBL1017425AKOS005217114SB546712-(pyridin-4-yl)cyclopropanecarboxylicacid
Show more names
Cyclopropanecarboxylic acid, 2-(4-pyridinyl)-(1R,2S)-2-(pyridin-4-yl)cyclopropanecarboxylic acid
TRANS-2-(PYRIDIN-4-YL)CYCLOPROPANECARBOXYLIC ACIDrac-(1R,2R)-2-(Pyridin-4-yl)cyclopropane-1-carboxylic acidDTXSID301265650BHB14924SBB084048AS-79708SY280093DB-070931
Database identifiers
- CAS
484654-49-1、801149-24-6- PubChem CID
- 43810285
- DTXSID
DTXSID301265650- EC Number
- 886-910-6
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 95 · 95-105 °C(Press: 0.3 Torr)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.99 · 3.99±0.11(Predicted)
- Appearance
- Light yellow to yellow Solid
Chemistry & industry
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
Related reactions
2 records
Compound notes
Loading…