Basic information
- CAS
125568-35-6- Standard SMILES
CC(C)N(O)C(=O)C(=O)O- InChIKey
QVIOSGUKMDGWNN-UHFFFAOYSA-N- Molecular formula
- C5H9NO4
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.05315777
Names & identifiers
- Preferred name
- (Hydroxy(propan-2-yl)carbamoyl)formic acid
- IUPAC
- 2-[hydroxy(propan-2-yl)amino]-2-oxoacetic acid
Names & synonyms
132418-03-2[hydroxy(propan-2-yl)carbamoyl]formic acid(Hydroxy(propan-2-yl)carbamoyl)formic acidRefChem:406515857-722-1N-HYDROXY-N-ISOPROPYLOXAMIC ACID2-[hydroxy(propan-2-yl)amino]-2-oxoacetic acid2-[hydroxy(isopropyl)amino]-2-oxo-acetic acidHIO2-(Hydroxy(isopropyl)amino)-2-oxoacetic acid2-[Hydroxy(isopropyl)amino]-2-oxoacetic AcidN-Isopropyloxalyl hydroxamate
Show more names
SCHEMBL64379orb2278230CHEMBL1233331HFA41803EBC-47390AKOS006388141DB03387[hydroxy(propan-2-yl)carbamoyl]formicacid
Database identifiers
- CAS
125568-35-6、132418-03-2- PubChem CID
- 73284
- ChEMBL
CHEMBL1233331- EC Number
- 857-722-1
- Nikkaji
- J670.552I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
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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