Basic information
- CAS
85944-02-1- Standard SMILES
CCc1ccc(OC)c(C=O)c1- InChIKey
FPVAAACXONVFMQ-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 5-Ethyl-2-methoxybenzaldehyde
- IUPAC
- 5-ethyl-2-methoxybenzaldehyde
- English name
- Benzaldehyde, 5-ethyl-2-methoxy-
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
5-ETHYL-2-METHOXYBENZALDEHYDE85944-02-1Benzaldehyde, 5-ethyl-2-methoxy-MFCD062474615-ethyl-2-methoxy-benzaldehydeSCHEMBL1080351SCHEMBL9681414SCHEMBL29951235DTXSID20439176AKOS005291264BS-24194DA-02160
Show more names
CS-0208106G47331EN300-2483318F636553Z1201623459
Database identifiers
- CAS
85944-02-1- PubChem CID
- 10397129
- DTXSID
DTXSID20439176- Nikkaji
- J2.321.133E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 269.5 · 269.5±28.0 °C(Predicted)
- Density
- 1.039 · 1.039±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers9 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
安徽合诺生物科技有限公司18455579438
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
湖州澄博生物科技有限公司13626726938
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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