Basic information
- CAS
17484-28-5- Standard SMILES
Cc1cc(C(=O)O)cc(C(C)(C)C)c1- InChIKey
KFTYUKLBWUVVPI-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 5-tert-Butyl-m-toluic acid
- IUPAC
- 3-tert-butyl-5-methylbenzoic acid
- English name
- 5-tert-butyl-m-toluic acid
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
17484-28-53-tert-butyl-5-methylbenzoic acid5-tert-Butyl-m-toluic acid3-(tert-butyl)-5-methylbenzoic acidBenzoic acid, 3-(1,1-dimethylethyl)-5-methyl-EINECS 241-499-7AE-562/43287061SCHEMBL8227380SCHEMBL9986680DTXSID30938589KFTYUKLBWUVVPI-UHFFFAOYSA-N3-(t-Butyl)-5-methylbenZoic acid
Show more names
3-(1,1-Dimethylethyl)-5-methylbenzoic acid
MFCD09965982SBB091461STK360617AKOS005442353DA-23206NS00051756H80172
Database identifiers
- CAS
17484-28-5- PubChem CID
- 87136
- DTXSID
DTXSID30938589- EC Number
- 241-499-7
- Nikkaji
- J287.064I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
威海怀信生物科技有限公司15662379806 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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