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Home Other Building Blocks 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2,2-dimethyl-

4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2,2-dimethyl-

CAS No.:
17771-33-4
Catalog Number:
AG0025GW
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
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Product Description
Catalog Number:
AG0025GW
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2,2-dimethyl-
CAS Number:
17771-33-4
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD00100268
IUPAC Name:
7-hydroxy-2,2-dimethyl-3H-chromen-4-one
InChI:
InChI=1S/C11H12O3/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5,12H,6H2,1-2H3
InChI Key:
PHEWNYMTGPOCOP-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Oc2c1ccc(c2)O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
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