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20819-46-9 | Ethanone, 1-(7,8-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-
CAS No: 20819-46-9 Catalog No: AG002JKH MDL No:
Product Description
Catalog Number:
AG002JKH
Chemical Name:
Ethanone, 1-(7,8-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-
CAS Number:
20819-46-9
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
1-(7,8-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
InChI:
InChI=1S/C15H18O4/c1-9(16)11-8-10-6-7-15(2,3)19-12(10)14(18-5)13(11)17-4/h6-8H,1-5H3
InChI Key:
AVQQLPJWGXTKFZ-UHFFFAOYSA-N
SMILES:
COc1c2OC(C)(C)C=Cc2cc(c1OC)C(=O)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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