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126606-18-6 | 2H-1-Benzopyran-2-one, 7-methoxy-8-(2-oxiranylmethoxy)-
CAS No: 126606-18-6 Catalog No: AG000T0D MDL No:
Product Description
Catalog Number:
AG000T0D
Chemical Name:
2H-1-Benzopyran-2-one, 7-methoxy-8-(2-oxiranylmethoxy)-
CAS Number:
126606-18-6
Molecular Formula:
C13H12O5
Molecular Weight:
248.2314
IUPAC Name:
7-methoxy-8-(oxiran-2-ylmethoxy)chromen-2-one
InChI:
InChI=1S/C13H12O5/c1-15-10-4-2-8-3-5-11(14)18-12(8)13(10)17-7-9-6-16-9/h2-5,9H,6-7H2,1H3
InChI Key:
CHJWGVGXEZPWHB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OCC1CO1)oc(=O)cc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.234g/mol
Monoisotopic Mass:
248.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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