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137460-58-3 | 4H-1-Benzopyran-4-one, 7-(hexyloxy)-3-phenoxy-
CAS No: 137460-58-3 Catalog No: AG0013AS MDL No:
Product Description
Catalog Number:
AG0013AS
Chemical Name:
4H-1-Benzopyran-4-one, 7-(hexyloxy)-3-phenoxy-
CAS Number:
137460-58-3
Molecular Formula:
C21H22O4
Molecular Weight:
338.3970
IUPAC Name:
7-hexoxy-3-phenoxychromen-4-one
InChI:
InChI=1S/C21H22O4/c1-2-3-4-8-13-23-17-11-12-18-19(14-17)24-15-20(21(18)22)25-16-9-6-5-7-10-16/h5-7,9-12,14-15H,2-4,8,13H2,1H3
InChI Key:
VKVHGBWCULITLM-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc2c(c1)occ(c2=O)Oc1ccccc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.152g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.403g/mol
Monoisotopic Mass:
338.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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