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87315-06-8 | 2H-Pyran-2-one, 3-(1,1-dimethyl-2-propenyl)-4-methoxy-6-phenyl-
CAS No: 87315-06-8 Catalog No: AG004HOS MDL No:
Product Description
Catalog Number:
AG004HOS
Chemical Name:
2H-Pyran-2-one, 3-(1,1-dimethyl-2-propenyl)-4-methoxy-6-phenyl-
CAS Number:
87315-06-8
Molecular Formula:
C17H18O3
Molecular Weight:
270.3230
IUPAC Name:
4-methoxy-3-(2-methylbut-3-en-2-yl)-6-phenylpyran-2-one
InChI:
InChI=1S/C17H18O3/c1-5-17(2,3)15-14(19-4)11-13(20-16(15)18)12-9-7-6-8-10-12/h5-11H,1H2,2-4H3
InChI Key:
JHFVOPRTYLFUOK-UHFFFAOYSA-N
SMILES:
C=CC(c1c(OC)cc(oc1=O)c1ccccc1)(C)C
NSC Number:
603829
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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