Basic information
- CAS
7466-50-4- Standard SMILES
O=Cc1ccc2ccc3ccccc3c2c1- InChIKey
LHEOFIBQZSRTNC-UHFFFAOYSA-N- Molecular formula
- C15H10O
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.07316494
Names & identifiers
- Preferred name
- 3-Phenanthrenecarboxaldehyde
- IUPAC
- phenanthrene-3-carbaldehyde
- English name
- 3-Phenanthrenecarbaldehyde
- Molecular formula
- C15H10O
- Molecular weight
- 206.24
Names & synonyms
7466-50-43-PhenanthrenecarboxaldehydeDTXSID00322991RefChem:281627DTXCID70274110phenanthrene-3-carbaldehyde3-PhenanthrenecarbaldehydeNSC402639SCHEMBL1920223SCHEMBL5617799MFCD09865172AKOS015840864
Show more names
NSC-402639DB-022163
Database identifiers
- CAS
7466-50-4- PubChem CID
- 345202
- DTXSID
DTXSID00322991- Nikkaji
- J81.403B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 79.5 · 79.5-80 °C
- Boiling point
- 405.7 · 405.7±14.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers6 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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