Basic information
- CAS
1397264-17-3- Standard SMILES
COc1cc(-c2cc(-c3ccc(C(=O)O)c(OC)c3)cc(-c3ccc(C(=O)O)c(OC)c3)c2)ccc1C(=O)O- InChIKey
XLMNJTUQNSATEJ-UHFFFAOYSA-N- Molecular formula
- C30H24O9
- Average molar mass
- 528.5 g/mol
- Monoisotopic mass
- 528.14203234
Names & identifiers
- Preferred name
- 5'-(4-Carboxy-3-methoxyphenyl)-3,3''-dimethoxy-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid
- IUPAC
- 4-[3,5-bis(4-carboxy-3-methoxyphenyl)phenyl]-2-methoxybenzoic acid
- English name
- [1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, 5'-(4-carboxy-3-methoxyphenyl)-3,3''-dimethoxy-
- Molecular formula
- C30H24O9
- Molecular weight
- 528.51
Names & synonyms
1397264-17-35'-(4-Carboxy-3-methoxyphenyl)-3,3''-dimethoxy-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acidorb3214945SCHEMBL171777401,3,5-tris(3-methoxy-4-carboxyphenyl)benzene[1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, 5'-(4-carboxy-3-methoxyphenyl)-3,3''-dimethoxy-
Database identifiers
- CAS
1397264-17-3- PubChem CID
- 118448393
- Nikkaji
- J3.403.074J
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 740
Physicochemical properties
- Boiling point
- 733.9 · 733.9±60.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- pka
- 3.1 · 3.10±0.10(Predicted)
Chemistry & industry
Suppliers10 total
安庆东禾生物技术有限公司15056029383 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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