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10173-84-9 | 3(2H)-Benzofuranone, 2-(4-methoxybenzoyl)-
CAS No: 10173-84-9 Catalog No: AG0005CM MDL No:
Product Description
Catalog Number:
AG0005CM
Chemical Name:
3(2H)-Benzofuranone, 2-(4-methoxybenzoyl)-
CAS Number:
10173-84-9
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
IUPAC Name:
2-(4-methoxybenzoyl)-1-benzofuran-3-one
InChI:
InChI=1S/C16H12O4/c1-19-11-8-6-10(7-9-11)14(17)16-15(18)12-4-2-3-5-13(12)20-16/h2-9,16H,1H3
InChI Key:
NEWIUHRSKZBOHT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C1Oc2c(C1=O)cccc2
NSC Number:
26747
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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