Basic information
- CAS
129576-92-7- Standard SMILES
O=C(O)C12C3CCCC1C32c1ccccc1- InChIKey
SZNPNJRDELWFSX-UHFFFAOYSA-N- Molecular formula
- C14H14O2
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.09937969
Names & identifiers
- Preferred name
- 7-Phenyl-tricyclo[4.1.0.0*2,7*]heptane-1-carboxylic acid
- IUPAC
- 7-phenyltricyclo[4.1.0.02,7]heptane-1-carboxylic acid
- English name
- 7-Phenyl-tricyclo[4.1.0.0(2,7)]heptane-1-carboxylic acid
- Molecular formula
- C14H14O2
- Molecular weight
- 214.26
Names & synonyms
129576-92-77-Phenyl-tricyclo[4.1.0.0*2,7*]heptane-1-carboxylic acid7-phenyltricyclo[4.1.0.02,7]heptane-1-carboxylic acid7-Phenyltricyclo[4.1.0.0(2,7)]Heptane-1-carboxylic acidCBMicro_046029Oprea1_395761Oprea1_402107MLS000111670CHEMBL1488174HMS1676K05HMS2397J08AKOS000369447
Show more names
7-PHENYL-TRICYCLO[4.1.0.0]HEPTANE-1-CARBOXYLIC ACID7-Phenyl-tricyclo[4.1.0.0(2,7)]heptane-1-carboxylic acidTricyclo[4.1.0.02,7]heptane-1-carboxylic acid, 7-phenyl-
AKOS016344350SMR000107592BIM-0045988.P001ST4052568CS-0334546SR-01000527993SR-01000527993-17-phenyltricyclo[4.1.0.0<2,7>]heptanecarboxylic acid
Database identifiers
- CAS
129576-92-7- PubChem CID
- 2894797
- ChEMBL
CHEMBL1488174
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Melting point
- 168 °C · 168 °C
- Boiling point
- 367.2 · 367.2±21.0 °C(Predicted)
- Density
- 1.407 · 1.407±0.06 g/cm3(Predicted)
- pka
- 4 · 4+-.0.40(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
Fluorochem Ltd[email protected]
FLRO-SR[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
INTRCHM-FLUR[email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ASINEX-REAG[email protected]
MATRIX[email protected]
CHEMCOLLECT[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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