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128267-26-5 | Pyrano[2,3-c][1]benzopyran-5(3H)-one, 1-[(4-chlorophenoxy)methyl]-
CAS No: 128267-26-5 Catalog No: AG000XY2 MDL No:
Product Description
Catalog Number:
AG000XY2
Chemical Name:
Pyrano[2,3-c][1]benzopyran-5(3H)-one, 1-[(4-chlorophenoxy)methyl]-
CAS Number:
128267-26-5
Molecular Formula:
C19H13ClO4
Molecular Weight:
340.7571
IUPAC Name:
1-[(4-chlorophenoxy)methyl]-3H-pyrano[2,3-c]chromen-5-one
InChI:
InChI=1S/C19H13ClO4/c20-13-5-7-14(8-6-13)23-11-12-9-10-22-18-17(12)15-3-1-2-4-16(15)24-19(18)21/h1-9H,10-11H2
InChI Key:
LOALOZIDSJMGNJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCC1=CCOc2c1c1ccccc1oc2=O
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.05g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.759g/mol
Monoisotopic Mass:
340.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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