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66417-78-5

66417-78-5 | 3-QUINOLIN-3-YL-ACRYLIC ACID METHYL ESTER

CAS No: 66417-78-5 Catalog No: AG00FAAO MDL No:MFCD02068445

Product Description

Catalog Number:
AG00FAAO
Chemical Name:
3-QUINOLIN-3-YL-ACRYLIC ACID METHYL ESTER
CAS Number:
66417-78-5
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD02068445
IUPAC Name:
methyl (E)-3-quinolin-3-ylprop-2-enoate
InChI:
InChI=1S/C13H11NO2/c1-16-13(15)7-6-10-8-11-4-2-3-5-12(11)14-9-10/h2-9H,1H3/b7-6+
InChI Key:
GVXTZYRMZZIIKT-VOTSOKGWSA-N
SMILES:
COC(=O)/C=C/c1cnc2c(c1)cccc2

Properties

Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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