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20958-63-8 | 2H-1-Benzopyran-2-one, 3-(1,1-dimethyl-2-propen-1-yl)-7-methoxy-
CAS No: 20958-63-8 Catalog No: AG002KAR MDL No:
Product Description
Catalog Number:
AG002KAR
Chemical Name:
2H-1-Benzopyran-2-one, 3-(1,1-dimethyl-2-propen-1-yl)-7-methoxy-
CAS Number:
20958-63-8
Molecular Formula:
C15H16O3
Molecular Weight:
244.2857
IUPAC Name:
7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
InChI:
InChI=1S/C15H16O3/c1-5-15(2,3)12-8-10-6-7-11(17-4)9-13(10)18-14(12)16/h5-9H,1H2,2-4H3
InChI Key:
BTXKAWICQLJRID-UHFFFAOYSA-N
SMILES:
C=CC(c1cc2ccc(cc2oc1=O)OC)(C)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.29g/mol
Monoisotopic Mass:
244.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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