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137460-57-2 | 4H-1-Benzopyran-4-one, 7-(pentyloxy)-3-phenoxy-
CAS No: 137460-57-2 Catalog No: AG0013AT MDL No:
Product Description
Catalog Number:
AG0013AT
Chemical Name:
4H-1-Benzopyran-4-one, 7-(pentyloxy)-3-phenoxy-
CAS Number:
137460-57-2
Molecular Formula:
C20H20O4
Molecular Weight:
324.3704
IUPAC Name:
7-pentoxy-3-phenoxychromen-4-one
InChI:
InChI=1S/C20H20O4/c1-2-3-7-12-22-16-10-11-17-18(13-16)23-14-19(20(17)21)24-15-8-5-4-6-9-15/h4-6,8-11,13-14H,2-3,7,12H2,1H3
InChI Key:
RKECIGYPFAKWIX-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc2c(c1)occ(c2=O)Oc1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.376g/mol
Monoisotopic Mass:
324.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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