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

2H-1-Benzopyran-2-one, 7-hydroxy-4-(1-methylethyl)-

CAS No.:
23251-28-7
Catalog Number:
AG002MO5
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
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Product Description
Catalog Number:
AG002MO5
Chemical Name:
2H-1-Benzopyran-2-one, 7-hydroxy-4-(1-methylethyl)-
CAS Number:
23251-28-7
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD04612954
IUPAC Name:
7-hydroxy-4-propan-2-ylchromen-2-one
InChI:
InChI=1S/C12H12O3/c1-7(2)10-6-12(14)15-11-5-8(13)3-4-9(10)11/h3-7,13H,1-2H3
InChI Key:
ZPZNGNXYGLIIKR-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(=O)cc2C(C)C
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties