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Basic information
- CAS
934555-27-8- Standard SMILES
O=C(O)CC1(Sc2ccccc2)CCC1- InChIKey
AYXXHHDVLWHHIF-UHFFFAOYSA-N- Molecular formula
- C12H14O2S
- Average molar mass
- 222.31 g/mol
Names & identifiers
- Preferred name
- 2-[1-(Phenylsulfanyl)cyclobutyl]acetic acid
- IUPAC
- 2-(1-phenylsulfanylcyclobutyl)acetic acid
Names & synonyms
2-[1-(phenylsulfanyl)cyclobutyl]acetic acid934555-27-82-(1-phenylsulfanylcyclobutyl)acetic acidSCHEMBL618046AYXXHHDVLWHHIF-UHFFFAOYSA-NJMB555271-Phenylthiocyclobutane-1-acetic acidAKOS0267262822-[1-(phenylsulfanyl)cyclobutyl]aceticacidEN300-130930Z1634527156
Database identifiers
- CAS
934555-27-8- PubChem CID
- 66745606
- EC Number
- 188-696-3
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
4 records
Compound notes
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