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948291-17-6 molecular structure
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7-methylquinoline-3-carboxylic acid

ChemBase ID: 805328
Molecular Formular: C11H9NO2
Molecular Mass: 187.19466
Monoisotopic Mass: 187.06332853
SMILES and InChIs

SMILES:
c1(cc2c(cc1)cc(cn2)C(=O)O)C
Canonical SMILES:
Cc1ccc2c(c1)ncc(c2)C(=O)O
InChI:
InChI=1S/C11H9NO2/c1-7-2-3-8-5-9(11(13)14)6-12-10(8)4-7/h2-6H,1H3,(H,13,14)
InChIKey:
QJHXTZODJCAGBE-UHFFFAOYSA-N

Cite this record

CBID:805328 http://www.chembase.cn/molecule-805328.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methylquinoline-3-carboxylic acid
IUPAC Traditional name
7-methylquinoline-3-carboxylic acid
Synonyms
7-METHYLQUINOLINE-3-CARBOXYLIC ACID
CAS Number
948291-17-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22617 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22617 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.7276123  H Acceptors
H Donor LogD (pH = 5.5) 0.56048286 
LogD (pH = 7.4) -0.97467375  Log P 1.7825234 
Molar Refractivity 52.2767 cm3 Polarizability 21.036652 Å3
Polar Surface Area 50.19 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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