Basic information
- CAS
1105192-07-1- Standard SMILES
O=C(O)Cn1cnc2ncccc2c1=O- InChIKey
LAJVSGQTTAHCHH-UHFFFAOYSA-N- Molecular formula
- C9H7N3O3
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.04874109
Names & identifiers
- Preferred name
- 2-(4-Oxopyrido[2,3-d]pyrimidin-3(4H)-yl)acetic acid
- IUPAC
- 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid
Names & synonyms
1105192-07-12-(4-Oxopyrido[2,3-d]pyrimidin-3(4H)-yl)acetic acid2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acidSCHEMBL287094552-{4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetic acidDTXSID601248051AKOS005208495CS-0270728EN300-2431764-Oxopyrido[2,3-d]pyrimidine-3(4H)-acetic acid(4-Oxopyrido[2,3-d]pyrimidin-3(4H)-yl)acetic acid2-(4-Oxopyrido[2,3-d]pyrimidin-3(4H)-yl)aceticacid
Database identifiers
- CAS
1105192-07-1- PubChem CID
- 33675845
- DTXSID
DTXSID601248051
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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