Basic information
- CAS
1209-31-0- Standard SMILES
COC(=O)C(O)(c1ccccc1)C1CCC1- InChIKey
YXPHFWYCSAYUAB-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- Methyl cyclobutyl(hydroxy)phenylacetate
- IUPAC
- methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate
- English name
- α-Cyclobutyl-α-hydroxybenzeneacetic acid methyl ester
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26
Names & synonyms
1209-31-0methyl cyclobutyl(hydroxy)phenylacetateDTXSID70923590RefChem:1089561DTXCID401352440methyl 2-cyclobutyl-2-hydroxy-2-phenylacetateMFCD00039442alpha-Cyclobutyl-alpha-hydroxybenzeneacetic acid methyl esterbenzeneacetic acid, alpha-cyclobutyl-alpha-hydroxy-, methyl esteralpha-Cyclobutylmandelic acid methyl esterMethyl cyclobutylphenyl glycollateBRN 1974125
Show more names
(+/-)-Cyclobutyl(phenyl)glykolsaeuremethylesterα-Cyclobutyl-α-hydroxybenzeneacetic acid methyl esterBenzeneacetic acid, α-cyclobutyl-α-hydroxy-, methyl ester
MANDELIC ACID, alpha-CYCLOBUTYL-, METHYL ESTERALBB-024923SBB072157AKOS003405003Methyl cyclobutyl(hydroxy)(phenyl)acetateLS-08268ST095735CS-0329311
Database identifiers
- CAS
1209-31-0- PubChem CID
- 14583
- DTXSID
DTXSID70923590
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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