2-(O-Tolyl)pyrimidine-5-carboxylic acid
Basic information
- CAS
928712-77-0- Standard SMILES
Cc1ccccc1-c1ncc(C(=O)O)cn1- InChIKey
ZCGVZUZQRJMWMP-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Names & identifiers
- Preferred name
- 2-(O-Tolyl)pyrimidine-5-carboxylic acid
- IUPAC
- 2-(2-methylphenyl)pyrimidine-5-carboxylic acid
Names & synonyms
2-(O-TOLYL)PYRIMIDINE-5-CARBOXYLIC ACID928712-77-02-(2-methylphenyl)pyrimidine-5-carboxylic acidDTXSID60589765MFCD08753248AKOS000283938SB60008CS-02819062-(O-TOLYL)PYRIMIDINE-5-CARBOXYLICACIDEN300-768305A1-33953
Database identifiers
- CAS
928712-77-0- PubChem CID
- 17606295
- DTXSID
DTXSID60589765
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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