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841277-55-2 | 4H-1-Benzopyran-4-one, 2-(1-ethylpentyl)-5,7-dihydroxy-
CAS No: 841277-55-2 Catalog No: AG004PIP MDL No:
Product Description
Catalog Number:
AG004PIP
Chemical Name:
4H-1-Benzopyran-4-one, 2-(1-ethylpentyl)-5,7-dihydroxy-
CAS Number:
841277-55-2
Molecular Formula:
C16H20O4
Molecular Weight:
276.3276
IUPAC Name:
2-heptan-3-yl-5,7-dihydroxychromen-4-one
InChI:
InChI=1S/C16H20O4/c1-3-5-6-10(4-2)14-9-13(19)16-12(18)7-11(17)8-15(16)20-14/h7-10,17-18H,3-6H2,1-2H3
InChI Key:
BALAZJGVMCOMHI-UHFFFAOYSA-N
SMILES:
CCCCC(c1cc(=O)c2c(o1)cc(cc2O)O)CC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.332g/mol
Monoisotopic Mass:
276.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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