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898779-28-7 | 2-(3,4-DIMETHYLBENZOYL)-5-(1,3-DIOXOLAN-2-YL)THIOPHENE
CAS No: 898779-28-7 Catalog No: AG006JKC MDL No:
Product Description
Catalog Number:
AG006JKC
Chemical Name:
2-(3,4-DIMETHYLBENZOYL)-5-(1,3-DIOXOLAN-2-YL)THIOPHENE
CAS Number:
898779-28-7
Molecular Formula:
C16H16O3S
Molecular Weight:
288.3614
IUPAC Name:
(3,4-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
InChI:
InChI=1S/C16H16O3S/c1-10-3-4-12(9-11(10)2)15(17)13-5-6-14(20-13)16-18-7-8-19-16/h3-6,9,16H,7-8H2,1-2H3
InChI Key:
ZAAZPLQLZPHNTA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C)C)c1ccc(s1)C1OCCO1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.361g/mol
Monoisotopic Mass:
288.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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