Basic information
- CAS
11066-49-2- Standard SMILES
CCCCCCCCCc1cccc(O)c1- InChIKey
QWGLNWHWBCINBS-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- 3-Nonylphenol
- IUPAC
- 3-nonylphenol
- English name
- m-nonylphenol
- Molecular formula
- C15H24O
- Molecular weight
- 220.35
Names & synonyms
3-nonylphenolm-NonylphenolPhenol, 3-nonyl-UNII-343WVX6LH6343WVX6LH6EINECS 205-376-1DTXSID00864306RefChem:95078DTXCID80812840139-84-4Phenol, isononyl-SCHEMBL649958
Show more names
CHEMBL454290SCHEMBL28504547SCHEMBL29456830QWGLNWHWBCINBS-UHFFFAOYSA-NEINECS 234-284-4NS00042044Q27256329
Database identifiers
- CAS
11066-49-2、139-84-4- PubChem CID
- 67320
- DTXSID
DTXSID00864306- ChEMBL
CHEMBL454290- UNII
- 343WVX6LH6
- EC Number
- 205-376-1
- Nikkaji
- J141.395C
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
LogP5.61
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 331.8 · 331.8±11.0 °C(Predicted)
- Density
- 0.932 · 0.932±0.06 g/cm3(Predicted)
- pka
- 10.06 · 10.06±0.10(Predicted)
- FDA UNII
- 343 WVX6LH6 · 343WVX6LH6
Chemistry & industry
Suppliers2 total
上海马氏化学科技有限公司19916721580 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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