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933747-26-3 molecular structure
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quinazoline-4-carbaldehyde

ChemBase ID: 803788
Molecular Formular: C9H6N2O
Molecular Mass: 158.15674
Monoisotopic Mass: 158.04801282
SMILES and InChIs

SMILES:
c1ccc2ncnc(c2c1)C=O
Canonical SMILES:
O=Cc1ncnc2c1cccc2
InChI:
InChI=1S/C9H6N2O/c12-5-9-7-3-1-2-4-8(7)10-6-11-9/h1-6H
InChIKey:
MYLYYMIQPIWMFD-UHFFFAOYSA-N

Cite this record

CBID:803788 http://www.chembase.cn/molecule-803788.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinazoline-4-carbaldehyde
IUPAC Traditional name
quinazoline-4-carbaldehyde
Synonyms
QUINAZOLINE-4-CARBALDEHYDE
CAS Number
933747-26-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20502 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20502 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8120992  LogD (pH = 7.4) 1.8121079 
Log P 1.812108  Molar Refractivity 44.9993 cm3
Polarizability 17.970238 Å3 Polar Surface Area 42.85 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

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