Basic information
- CAS
1816937-61-7- Standard SMILES
O=Cc1ccc(-c2cc(OCC(=O)O)c(-c3ccc(C=O)c(O)c3)cc2OCC(=O)O)cc1O- InChIKey
KMGDAYJTMVXROV-UHFFFAOYSA-N- Molecular formula
- C24H18O10
- Average molar mass
- 466.4 g/mol
Names & identifiers
- Preferred name
- 2,2'-((4,4''-Diformyl-3,3''-dihydroxy-[1,1':4',1''-terphenyl]-2',5'-diyl)bis(oxy))diacetic acid
- IUPAC
- 2-[4-(carboxymethoxy)-2,5-bis(4-formyl-3-hydroxyphenyl)phenoxy]acetic acid
- English name
- 2,2'-((4,4''-diformyl-3,3''-dihydroxy-[1,1':4',1''-terphenyl]-2',5'-diyl)bis(oxy))diacetic acid
- Molecular formula
- C24H18O10
- Molecular weight
- 466.4
Names & synonyms
2,2'-((4,4''-Diformyl-3,3''-dihydroxy-[1,1':4',1''-terphenyl]-2',5'-diyl)bis(oxy))diacetic acid1816937-61-7BS-47808F766382-[4-(carboxymethoxy)-2,5-bis(4-formyl-3-hydroxyphenyl)phenoxy]acetic acid2-[4-(carboxymethoxy)-2,5-bis(4-formyl-3-hydroxy-phenyl)phenoxy]acetic acid2,2'-((4,4''-Diformyl-3,3''-dihydroxy-[1,1':4',1''-terphenyl]-2',5'-diyl)bis(oxy))diaceticacid
Database identifiers
- CAS
1816937-61-7
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 667
Physicochemical properties
- Boiling point
- 699.6 · 699.6±55.0 °C(Predicted)
- Density
- 1.502 · 1.502±0.06 g/cm3(Predicted)
- pka
- 2.82 · 2.82±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers10 total
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
扬州摩笛尔电子材料有限公司13761402923 19975033992 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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