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898773-20-1 | 5-(1,3-DIOXOLAN-2-YL)-2-(3-METHYLBENZOYL)THIOPHENE
CAS No: 898773-20-1 Catalog No: AG006KNZ MDL No:
Product Description
Catalog Number:
AG006KNZ
Chemical Name:
5-(1,3-DIOXOLAN-2-YL)-2-(3-METHYLBENZOYL)THIOPHENE
CAS Number:
898773-20-1
Molecular Formula:
C15H14O3S
Molecular Weight:
274.3349
IUPAC Name:
[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-methylphenyl)methanone
InChI:
InChI=1S/C15H14O3S/c1-10-3-2-4-11(9-10)14(16)12-5-6-13(19-12)15-17-7-8-18-15/h2-6,9,15H,7-8H2,1H3
InChI Key:
WICQSLOKMCAJDG-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=O)c1ccc(s1)C1OCCO1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.066g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.334g/mol
Monoisotopic Mass:
274.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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