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51761-07-0 molecular structure
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9H-carbazole-3-carbaldehyde

ChemBase ID: 804935
Molecular Formular: C13H9NO
Molecular Mass: 195.21666
Monoisotopic Mass: 195.06841391
SMILES and InChIs

SMILES:
c1ccc2c(c1)[nH]c1ccc(cc21)C=O
Canonical SMILES:
O=Cc1ccc2c(c1)c1ccccc1[nH]2
InChI:
InChI=1S/C13H9NO/c15-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)14-13/h1-8,14H
InChIKey:
WRBOHOGDAJPJOQ-UHFFFAOYSA-N

Cite this record

CBID:804935 http://www.chembase.cn/molecule-804935.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9H-carbazole-3-carbaldehyde
IUPAC Traditional name
9H-carbazole-3-carbaldehyde
Synonyms
9H-CARBAZOLE-3-CARBALDEHYDE
CAS Number
51761-07-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22157 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22157 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.546579  H Acceptors
H Donor LogD (pH = 5.5) 2.803388 
LogD (pH = 7.4) 2.803388  Log P 2.803388 
Molar Refractivity 60.0562 cm3 Polarizability 25.092266 Å3
Polar Surface Area 32.86 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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