Basic information
- CAS
5156-00-3- Standard SMILES
COc1cc(C(=O)O)ccc1C(=O)O- InChIKey
VQBBXLZPRXHYBO-UHFFFAOYSA-N- Molecular formula
- C9H8O5
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.03717336
Names & identifiers
- Preferred name
- 2-Methoxyterephthalic acid
- IUPAC
- 2-methoxyterephthalic acid
- English name
- 2-Methoxyterephthalic acid
- Molecular formula
- C9H8O5
- Molecular weight
- 196.16
Names & synonyms
2-methoxyterephthalic acid5156-00-32-methoxybenzene-1,4-dicarboxylic acidMFCD20638219methoxyterephthalic acid2-methoxyterephthalicacidNSC1371682-Methoxy-1,4-benzenedicarboxylic acidSCHEMBL9663781,4-Benzenedicarboxylic acid, 2-methoxy-DTXSID80300479AKOS022645223
Show more names
2-methoxyphthalic acid2-methoxy-1,4-benzenedimacetic acid2-METHOXYTEREPHTHALIC ACID（WS201524）
NSC-137168AMY28092SCHEMBL4628908AS-58855SY335518DB-293267CS-0061926W17040
Database identifiers
- CAS
5156-00-3- PubChem CID
- 282998
- DTXSID
DTXSID80300479- Nikkaji
- J958.816G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 270 · 270-280 °C
- Boiling point
- 407.9 · 407.9±30.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.67 · 3.67±0.10(Predicted)
- Appearance
- White to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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-P305+P351+P338
Chemistry & industry
Suppliers61 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
常州市阿尔捷化工商贸有限公司13813686894 · [email protected]
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]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Changzhou Helios Biomedical Science and Technology Co.,LTD.+8618961213068;+8618961100976 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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