Basic information
- CAS
484-32-2- Standard SMILES
COc1c(C(=O)O)ccc2c1OCO2- InChIKey
VQIHHUFDWODYDO-UHFFFAOYSA-N- Molecular formula
- C9H8O5
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.03717335
Names & identifiers
- Preferred name
- 4-Methoxy-1,3-benzodioxole-5-carboxylic acid
- IUPAC
- 4-methoxy-1,3-benzodioxole-5-carboxylic acid
- English name
- 4-Methoxy-1,3-benzodioxole-5-carboxylic acid
- Molecular formula
- C9H8O5
- Molecular weight
- 196.16
Names & synonyms
4-Methoxy-1,3-benzodioxole-5-carboxylic acid484-32-2Croweacin acidMethoxypiperonylsaure4-METHOXY-2H-1,3-BENZODIOXOLE-5-CARBOXYLIC ACIDDTXSID70345798VQIHHUFDWODYDO-UHFFFAOYSA-NMFCD206383854-Methoxy-1,3-benzodioxole-5-carboxylic acid #4-Methoxybenzo[d][1,3]dioxole-5-carboxylic acidCroweacic acid1,3-Benzodioxole-5-carboxylic acid, 4-methoxy-
Database identifiers
- CAS
484-32-2- PubChem CID
- 607178
- DTXSID
DTXSID70345798- Nikkaji
- J5.996J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 153 °C · 153 °C
- Boiling point
- 337 · 337.0±42.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- pka
- 4.24 · 4.24±0.20(Predicted)
Chemistry & industry
Suppliers2 total
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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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