Basic information
- CAS
22347-71-3- Standard SMILES
CC(=O)OCC1CCC=CO1- InChIKey
UVVZLQHUDLXMGT-UHFFFAOYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- 3,4-Dihydro-2h-pyran-2-ylmethyl acetate
- IUPAC
- 3,4-dihydro-2H-pyran-2-ylmethyl acetate
- English name
- NSC20752
- Molecular formula
- C8H12O3
- Molecular weight
- 156.17908
Names & synonyms
3,4-dihydro-2h-pyran-2-ylmethyl acetate22347-71-32H-Pyran-2-methanol,3,4-dihydro-, 2-acetateNSC207522-acetoxymethyl-3,4-dihydro-2h-pyran(3,4-dihydro-2H-pyran-2-yl)methyl acetateSCHEMBL259449UVVZLQHUDLXMGT-UHFFFAOYSA-DTXSID70281208UVVZLQHUDLXMGT-UHFFFAOYSA-NNSC-20752DS-001048
Show more names
acetic acid 3,4-dihydro-2H-pyran-2-ylmethyl ester
(+/-)-3,4-dihydro-2H-pyran-2-yl-methyl acetateInChI=1/C8H12O3/c1-7(9)11-6-8-4-2-3-5-10-8/h3,5,8H,2,4,6H2,1H3
Database identifiers
- CAS
22347-71-3- PubChem CID
- 228126
- DTXSID
DTXSID70281208- Nikkaji
- J749.903E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Chemistry & industry
Suppliers4 total
江西弗莱医药科技有限公司15870833005 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Related reactions
3 records
Compound notes
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