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6576-08-5 | 2-(pyridin-4-yl)-1-(thiophen-2-yl)ethan-1-one
CAS No: 6576-08-5 Catalog No: AG01C3UC MDL No:MFCD09039652
Product Description
Catalog Number:
AG01C3UC
Chemical Name:
2-(pyridin-4-yl)-1-(thiophen-2-yl)ethan-1-one
CAS Number:
6576-08-5
Molecular Formula:
C11H9NOS
Molecular Weight:
203.2603
MDL Number:
MFCD09039652
IUPAC Name:
2-pyridin-4-yl-1-thiophen-2-ylethanone
InChI:
InChI=1S/C11H9NOS/c13-10(11-2-1-7-14-11)8-9-3-5-12-6-4-9/h1-7H,8H2
InChI Key:
FCLIXCKZIJZCEL-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)Cc1ccncc1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.259g/mol
Monoisotopic Mass:
203.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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