Basic information
- CAS
518048-06-1- Standard SMILES
Cc1nnc(C(=O)O)o1- InChIKey
QPXQPPXGTQABCW-UHFFFAOYSA-N- Molecular formula
- C4H4N2O3
- Average molar mass
- 128.09 g/mol
- Monoisotopic mass
- 128.02219199
Names & identifiers
- Preferred name
- 5-Methyl-1,3,4-oxadiazole-2-carboxylic acid
- IUPAC
- 5-methyl-1,3,4-oxadiazole-2-carboxylic acid
- English name
- 5-METHYL-[1,3,4]OXADIAZOLE-2-CARBOXYLIC ACID
- Molecular formula
- C4H4N2O3
- Molecular weight
- 128.09
Names & synonyms
518048-06-15-methyl-1,3,4-oxadiazole-2-carboxylic acid5-Methyl-[1,3,4]oxadiazole-2-carboxylic acid1,3,4-Oxadiazole-2-carboxylic acid, 5-methyl-MFCD058645455-Methyl[1,3,4]oxadiazole-2-carboxylic acid4SQQ9QQ6DKSCHEMBL185561DTXSID70600213QPXQPPXGTQABCW-UHFFFAOYSA-NAKOS006237869FS-6578
Show more names
-methyl-1,3,4-oxadiazole-2-carboxylicacid5-Methyl-1,3,4-oxadiazol-2-carboxylic acid5-Methyl-[1,3,4]oxadiazole-2-carboxylic aci
SB37462DB-0145915-methyl-1,3,4-oxadiazole-2-carboxylicacidCS-0128622EN300-146151
Database identifiers
- CAS
518048-06-1- PubChem CID
- 19811946
- DTXSID
DTXSID70600213- UNII
- 4SQQ9QQ6DK
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 317.9 · 317.9±25.0 °C(Predicted)
- Density
- 1.464 · 1.464±0.06 g/cm3(Predicted)
- pka
- 2 · 2.00±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers49 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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Syntechem Co.,Ltd[email protected]
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Alchem Pharmtech,Inc.8485655694 · [email protected]
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Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
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Related reactions
6 records
Compound notes
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