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75293-82-2 molecular structure
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indeno[2,1-b]chromene-6-carbaldehyde

ChemBase ID: 83655
Molecular Formular: C17H10O2
Molecular Mass: 246.2601
Monoisotopic Mass: 246.06807956
SMILES and InChIs

SMILES:
o1c2c(c3c(cccc3)c2cc2c1cccc2)C=O
Canonical SMILES:
O=Cc1c2ccccc2c2c1oc1ccccc1c2
InChI:
InChI=1S/C17H10O2/c18-10-15-13-7-3-2-6-12(13)14-9-11-5-1-4-8-16(11)19-17(14)15/h1-10H
InChIKey:
IZRZXVDMBPQFJV-UHFFFAOYSA-N

Cite this record

CBID:83655 http://www.chembase.cn/molecule-83655.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
indeno[2,1-b]chromene-6-carbaldehyde
IUPAC Traditional name
indeno[2,1-b]chromene-6-carbaldehyde
Synonyms
Indeno[2,1-b]chromene-6-carboxaldehyde
Benz[b]indeno[1,2-e]pyran-6-carboxaldehyde
indeno[2,1-b]chromene-6-carboxaldehyde
苯并[b]茚并[1,2-e]吡喃-6-甲醛
CAS Number
75293-82-2
MDL Number
MFCD00126609
PubChem SID
162070772
PubChem CID
406784

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 406784 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8532262  LogD (pH = 7.4) 3.8532262 
Log P 3.8532262  Molar Refractivity 74.261 cm3
Polarizability 31.877703 Å3 Polar Surface Area 30.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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