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Compound FL0218

CAT: 0931-FL0218-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0218-02Size:5 mg
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CAS Number
54931-62-3
Bioactivity
Compound FL0218, with CAS No. 54931-62-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0218 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
Cn1cc(C(O)=O)c2ccccc2c1=O
Molecular Formula
C11H9NO3
Molecular Weight
203.1941
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
CAS Number54931-62-3
PubChem CID12220340
IUPAC Name2-methyl-1-oxoisoquinoline-4-carboxylic acid
Molecular FormulaC11H9NO3
Molecular Weight203.19
XLogP0.8
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity335
SMILES
CN1C=C(C2=CC=CC=C2C1=O)C(=O)O
InChI
InChI=1S/C11H9NO3/c1-12-6-9(11(14)15)7-4-2-3-5-8(7)10(12)13/h2-6H,1H3,(H,14,15)
InChIKey
NQDGBUUSUPLGHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
CAS: 54931-62-3
CID: 12220340
Formula: C11H9NO3
MW: 203.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.19
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass203.058243149
Monoisotopic Mass203.058243149
Topological Polar Surface Area57.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FL0213-01Compound FL0213
FL0210-01Compound FL0210
FL0208-01Compound FL0208
FL0298-01Compound FL0298
FL0238-01Compound FL0238
FL0185-01Compound FL0185
FL0158-01Compound FL0158
FL0121-01Compound FL0121
FL0115-01Compound FL0115
FL0280-01Compound FL0280

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