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88484-91-7 | Ethanone, 1-[4-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-furanyl]-
CAS No: 88484-91-7 Catalog No: AG004A0T MDL No:
Product Description
Catalog Number:
AG004A0T
Chemical Name:
Ethanone, 1-[4-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-furanyl]-
CAS Number:
88484-91-7
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
IUPAC Name:
1-[4-(1,3-benzodioxol-5-yl)-2,5-dimethylfuran-3-yl]ethanone
InChI:
InChI=1S/C15H14O4/c1-8(16)14-9(2)19-10(3)15(14)11-4-5-12-13(6-11)18-7-17-12/h4-6H,7H2,1-3H3
InChI Key:
MCRCBLKWXUENJT-UHFFFAOYSA-N
SMILES:
Cc1oc(c(c1c1ccc2c(c1)OCO2)C(=O)C)C
NSC Number:
602682
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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