Basic information
- CAS
1216060-16-0- Standard SMILES
Cc1ncn(CC(=O)O)c(=O)c1C- InChIKey
BKIDIHQOJPDMDR-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914219
Names & identifiers
- Preferred name
- (4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)acetic acid
- IUPAC
- 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetic acid
- English name
- (4,5-Dimethyl-6-oxopyrimidin-1(6H)-yl)acetic acid
- Molecular formula
- C8H10N2O3
- Molecular weight
- 182.18
Names & synonyms
(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)acetic acid1216060-16-02-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-1-yl)acetic acid2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetic acidF2135-0523SMSSF-0533371AKOS015956300AB87700EN300-235042F511865(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)aceticacid2-(4,5-dimethyl-6-oxo-pyrimidin-1-yl)acetic acid
Show more names
1(6H)-Pyrimidineacetic acid, 4,5-dimethyl-6-oxo-2-(4,5-dimethyl-6-oxopyrimidin-1(6h)-yl)acetic acid
(4,5-dimethyl-6-oxo-1,6-dihydro-1-pyrimidinyl)acetic acid
Database identifiers
- CAS
1216060-16-0- PubChem CID
- 51975111
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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