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1025-48-5 | 2(3H)-Benzofuranone, 3-[(4-methylphenyl)methylene]-
CAS No: 1025-48-5 Catalog No: AG0007LS MDL No:
Product Description
Catalog Number:
AG0007LS
Chemical Name:
2(3H)-Benzofuranone, 3-[(4-methylphenyl)methylene]-
CAS Number:
1025-48-5
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
3-[(4-methylphenyl)methylidene]-1-benzofuran-2-one
InChI:
InChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)10-14-13-4-2-3-5-15(13)18-16(14)17/h2-10H,1H3
InChI Key:
BPWVHYQPWJBKFW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=C1C(=O)Oc2c1cccc2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.27g/mol
Monoisotopic Mass:
236.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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