Home Other Building Blocks 3-Butyryl-2H-chromen-2-one

3-Butyryl-2H-chromen-2-one

CAS No.:
1846-73-7
Catalog Number:
AG003JSF
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
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Product Description
Catalog Number:
AG003JSF
Chemical Name:
3-Butyryl-2H-chromen-2-one
CAS Number:
1846-73-7
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
MDL Number:
MFCD00052893
IUPAC Name:
3-butanoylchromen-2-one
InChI:
InChI=1S/C13H12O3/c1-2-5-11(14)10-8-9-6-3-4-7-12(9)16-13(10)15/h3-4,6-8H,2,5H2,1H3
InChI Key:
HMTUJOLTTSWOHC-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cc2ccccc2oc1=O
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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
Properties