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7169-37-1 | 7-Methoxybenzofuran-3(2H)-one
CAS No: 7169-37-1 Catalog No: AG003NG8 MDL No:MFCD00274296
Product Description
Catalog Number:
AG003NG8
Chemical Name:
7-Methoxybenzofuran-3(2H)-one
CAS Number:
7169-37-1
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00274296
IUPAC Name:
7-methoxy-1-benzofuran-3-one
InChI:
InChI=1S/C9H8O3/c1-11-8-4-2-3-6-7(10)5-12-9(6)8/h2-4H,5H2,1H3
InChI Key:
QSJBSTJSAZCHSA-UHFFFAOYSA-N
SMILES:
COc1cccc2c1OCC2=O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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