Basic information
- CAS
21484-52-6- Standard SMILES
O=C(O)Cc1nn(-c2ccccc2)c2c1CCC2- InChIKey
WTMWGZQAMBPICC-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- 3-Cyclopentapyrazoleacetic acid, 1,4,5,6-tetrahydro-1-phenyl-
- IUPAC
- 2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid
- English name
- 1,4,5,6-Tetrahydro-1-phenyl-3-cyclopentapyrazoleacetic acid
- Molecular formula
- C14H14N2O2
- Molecular weight
- 242.27
Names & synonyms
21484-52-62-(1-PHENYL-1,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOL-3-YL)ACETIC ACID3-Cyclopentapyrazoleacetic acid, 1,4,5,6-tetrahydro-1-phenyl-1,4,5,6-Tetrahydro-1-phenyl-3-cyclopentapyrazoleacetic acidPoli 44(1-phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acidPOLI-44BRN 0618279DTXSID10175778G90843
Database identifiers
- CAS
21484-52-6- PubChem CID
- 210671
- DTXSID
DTXSID10175778- Nikkaji
- J77.995D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Chemistry & industry
Suppliers10 total
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
北京科易通达科技发展有限公司17743531240 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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