Basic information
- CAS
116757-66-5- Standard SMILES
COc1cc2c(cc1C=O)OCCO2- InChIKey
KAMBUYABGSQMFF-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- 7-Methoxy-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
- IUPAC
- 6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
- English name
- 7-methoxy-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde(SALTDATA: FREE)
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
116757-66-57-methoxy-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde7-Methoxy-2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehydeMFCD081447756-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde7-Methoxy-2,3-dihydro-benzo[1,4]dioxine-6-carbaldehyde1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-7-methoxy-7-methoxy-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde(SALTDATA: FREE)7-methoxy-2H,3H-benzo[e]1,4-dioxane-6-carbaldehydeKAMBUYABGSQMFF-UHFFFAOYSA-NSCHEMBL1534698DTXSID90424655
Show more names
177492
SBB014533STK711022AKOS000302332ST092024SY308742CS-0312714F95519F310662
Database identifiers
- CAS
116757-66-5- PubChem CID
- 6497064
- DTXSID
DTXSID90424655- Nikkaji
- J474.482I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 130 · 130-131 °C
- Boiling point
- 321.6 · 321.6±30.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
安徽合诺生物科技有限公司18455579438
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
6 records
Compound notes
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