5,5'-Dimethyl-[1,1'-biphenyl]-2,2'-dicarboxylic acid
Basic information
- CAS
93012-36-3- Standard SMILES
Cc1ccc(C(=O)O)c(-c2cc(C)ccc2C(=O)O)c1- InChIKey
HCUNISHLIXGFFA-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- 5,5'-Dimethyl-[1,1'-biphenyl]-2,2'-dicarboxylic acid
- IUPAC
- 2-(2-carboxy-5-methylphenyl)-4-methylbenzoic acid
- English name
- 5,5'-DiMethyl-[1,1'-biphenyl]-2,2'-dicarboxylic acid
- Molecular formula
- C16H14O4
- Molecular weight
- 270.28
Names & synonyms
93012-36-35,5'-Dimethyl-[1,1'-biphenyl]-2,2'-dicarboxylic acid5,5'-dimethylbiphenyl-2,2'-dicarboxylic acid5,5'-Dimethyl-diphenic acid2-(2-carboxy-5-methylphenyl)-4-methylbenzoic acidMFCD28123769NSC86648orb3216488SCHEMBL8673355MOF&2-(2-carboxy-5-methylphenyl)-4-methylbenzoic AcidDTXSID00292988NSC-86648
Show more names
[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 5,5'-dimethyl-
AKOS024463874DS-9721SY029599CS-0110458C77186F4617892-(2-carboxy-5-methyl-phenyl)-4-methyl-benzoic acid5,5'-Dimethyl-[1,1'-biphenyl]-2,2'-dicarboxylicacid
Database identifiers
- CAS
93012-36-3- PubChem CID
- 258012
- DTXSID
DTXSID00292988
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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