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Home Other Building Blocks Coumarin 334

Coumarin 334

CAS No.:
55804-67-6
Catalog Number:
AG003P2O
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
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Product Description
Catalog Number:
AG003P2O
Chemical Name:
Coumarin 334
CAS Number:
55804-67-6
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
MDL Number:
MFCD00051336
IUPAC Name:
5-acetyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
InChI:
InChI=1S/C17H17NO3/c1-10(19)14-9-12-8-11-4-2-6-18-7-3-5-13(15(11)18)16(12)21-17(14)20/h8-9H,2-7H2,1H3
InChI Key:
JBPCDMSEJVCNGV-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4
EC Number:
259-826-7
UNII:
2773GTW04S
NSC Number:
369287
Properties
Complexity:
512  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Polymer nanofibre junctions of attolitre volume serve as zeptomole-scale chemical reactors. Nature chemistry 20090401
Properties