Basic information
- CAS
1038300-16-1- Standard SMILES
Cn1c(=O)c2cc(C(=O)O)n(C)c2n(C)c1=O- InChIKey
CHYABWIHAJLDBS-UHFFFAOYSA-N- Molecular formula
- C10H11N3O4
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.07495584
Names & identifiers
- Preferred name
- 1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo(2,3-d)pyrimidine-6-carboxylic acid
- IUPAC
- 1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid
Names & synonyms
1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid1038300-16-11,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo(2,3-d)pyrimidine-6-carboxylic acidRefChem:412796982-476-81,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acidNRB30016MFCD11203770SY176039CS-0251173EN300-53859G56613
Show more names
1,3,7-trimethyl-2,4-dioxo-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-6-carboxylicacid1,3,7-Trimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic Acid
Database identifiers
- CAS
1038300-16-1- PubChem CID
- 29079012
- EC Number
- 982-476-8
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 397
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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