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10001-30-6 | 1(3H)-Isobenzofuranone, 3-[(3,4-dimethoxyphenyl)methylene]-
CAS No: 10001-30-6 Catalog No: AG0000AR MDL No:
Product Description
Catalog Number:
AG0000AR
Chemical Name:
1(3H)-Isobenzofuranone, 3-[(3,4-dimethoxyphenyl)methylene]-
CAS Number:
10001-30-6
Molecular Formula:
C17H14O4
Molecular Weight:
282.2907
IUPAC Name:
3-[(3,4-dimethoxyphenyl)methylidene]-2-benzofuran-1-one
InChI:
InChI=1S/C17H14O4/c1-19-14-8-7-11(10-16(14)20-2)9-15-12-5-3-4-6-13(12)17(18)21-15/h3-10H,1-2H3
InChI Key:
RPYYTHUJKJTHOE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C=C1OC(=O)c2c1cccc2
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.295g/mol
Monoisotopic Mass:
282.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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