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120046-15-3 | 4H-1-Benzopyran-4-one, 2,3-dihydro-2,2-dimethyl-7-(1-methylethoxy)-
CAS No: 120046-15-3 Catalog No: AG000Q70 MDL No:
Product Description
Catalog Number:
AG000Q70
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-2,2-dimethyl-7-(1-methylethoxy)-
CAS Number:
120046-15-3
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
2,2-dimethyl-7-propan-2-yloxy-3H-chromen-4-one
InChI:
InChI=1S/C14H18O3/c1-9(2)16-10-5-6-11-12(15)8-14(3,4)17-13(11)7-10/h5-7,9H,8H2,1-4H3
InChI Key:
OBYZYEDJOIHTQO-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc2c(c1)OC(CC2=O)(C)C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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