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796852-12-5 | 2-Propanone, 1-(7-methoxy-3-benzofuranyl)-
CAS No: 796852-12-5 Catalog No: AG005IN6 MDL No:
Product Description
Catalog Number:
AG005IN6
Chemical Name:
2-Propanone, 1-(7-methoxy-3-benzofuranyl)-
CAS Number:
796852-12-5
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
1-(7-methoxy-1-benzofuran-3-yl)propan-2-one
InChI:
InChI=1S/C12H12O3/c1-8(13)6-9-7-15-12-10(9)4-3-5-11(12)14-2/h3-5,7H,6H2,1-2H3
InChI Key:
ZXOXTAPKATXSGI-UHFFFAOYSA-N
SMILES:
COc1cccc2c1occ2CC(=O)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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