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Home Other Building Blocks 2H-1-Benzopyran-2-one,7-hydroxy-4-methyl-3-(phenylmethyl)-

2H-1-Benzopyran-2-one,7-hydroxy-4-methyl-3-(phenylmethyl)-

CAS No.:
86-44-2
Catalog Number:
AG008GCB
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
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Product Description
Catalog Number:
AG008GCB
Chemical Name:
2H-1-Benzopyran-2-one,7-hydroxy-4-methyl-3-(phenylmethyl)-
CAS Number:
86-44-2
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
MDL Number:
MFCD00047643
IUPAC Name:
3-benzyl-7-hydroxy-4-methylchromen-2-one
InChI:
InChI=1S/C17H14O3/c1-11-14-8-7-13(18)10-16(14)20-17(19)15(11)9-12-5-3-2-4-6-12/h2-8,10,18H,9H2,1H3
InChI Key:
IDFOCEQDKOOOER-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1
UNII:
6UZY4BZ33H
NSC Number:
43673
Properties
Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
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
Properties