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84294-87-1 | 4H-1-Benzopyran-4-one, 6,7-dimethoxy-2-(2-phenylethyl)-
CAS No: 84294-87-1 Catalog No: AG0056OC MDL No:
Product Description
Catalog Number:
AG0056OC
Chemical Name:
4H-1-Benzopyran-4-one, 6,7-dimethoxy-2-(2-phenylethyl)-
CAS Number:
84294-87-1
Molecular Formula:
C19H18O4
Molecular Weight:
310.3438
IUPAC Name:
6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one
InChI:
InChI=1S/C19H18O4/c1-21-18-11-15-16(20)10-14(23-17(15)12-19(18)22-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
InChI Key:
MVQOWXHYPYRBOE-UHFFFAOYSA-N
SMILES:
COc1cc2oc(CCc3ccccc3)cc(=O)c2cc1OC
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.349g/mol
Monoisotopic Mass:
310.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Three 2-(2-phenylethyl) chromones and two terpenes from agarwood. | Natural product research 20050601 |
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