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876345-08-3 | Methanone, (2,3-dimethyloxiranyl)(7-methoxy-2H-1-benzopyran-5-yl)-
CAS No: 876345-08-3 Catalog No: AG004LE4 MDL No:
Product Description
Catalog Number:
AG004LE4
Chemical Name:
Methanone, (2,3-dimethyloxiranyl)(7-methoxy-2H-1-benzopyran-5-yl)-
CAS Number:
876345-08-3
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
(2,3-dimethyloxiran-2-yl)-(7-methoxy-2H-chromen-5-yl)methanone
InChI:
InChI=1S/C15H16O4/c1-9-15(2,19-9)14(16)12-7-10(17-3)8-13-11(12)5-4-6-18-13/h4-5,7-9H,6H2,1-3H3
InChI Key:
NPQQKXNCHCSZKW-UHFFFAOYSA-N
SMILES:
COc1cc2OCC=Cc2c(c1)C(=O)C1(C)OC1C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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