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16850-99-0 | 2H-1-Benzopyran-2-one, 7-[3-(4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl)butoxy]-
CAS No: 16850-99-0 Catalog No: AG001Y3Z MDL No:
Product Description
Catalog Number:
AG001Y3Z
Chemical Name:
2H-1-Benzopyran-2-one, 7-[3-(4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl)butoxy]-
CAS Number:
16850-99-0
Molecular Formula:
C19H20O5
Molecular Weight:
328.3591
IUPAC Name:
7-[3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]chromen-2-one
InChI:
InChI=1S/C19H20O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-7,10-12H,8-9H2,1-3H3
InChI Key:
GXTVQAPXQFZGLW-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)cc(cc2)OCCC(C1=CC(=O)C(O1)(C)C)C
NSC Number:
151655
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.364g/mol
Monoisotopic Mass:
328.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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