Basic information
- CAS
143688-40-8- Standard SMILES
CC(C)(C)OC(=O)C(C)(C)C(=O)O- InChIKey
OQXONLSMRNDAOW-UHFFFAOYSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
Names & identifiers
- Preferred name
- 3-(Tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid
- IUPAC
- 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
- English name
- 3-(tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid
- Molecular formula
- C9H16O4
- Molecular weight
- 188.22
Names & synonyms
3-(tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid143688-40-82,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acidNSC78782NCIOpen2_000833SCHEMBL998622OQXONLSMRNDAOW-UHFFFAOYSA-NTFA68840NSC-78782AKOS033905279AT12819DB-312917
Show more names
3-(tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid - [AC77842]Propanedioic acid, 2,2-dimethyl-, 1-(1,1-dimethylethyl) ester
2,2-dimethylmalonic acid mono-t-butyl ester2-(Tert-butoxycarbonyl)-2-methylpropanoic acidEN300-2608193-(tert-butoxy)-2,2-dimethyl-3-oxopropanoicacidZ1262518093
Database identifiers
- CAS
143688-40-8- PubChem CID
- 254415
- EC Number
- 885-977-9
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
诺圣华控股集团有限公司+86-023-62871537 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
4 records
Compound notes
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