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151167-06-5 | 1(3H)-Isobenzofuranone, 3-(3,4-dimethoxyphenyl)-4,5,6-trimethoxy-
CAS No: 151167-06-5 Catalog No: AG001N5A MDL No:
Product Description
Catalog Number:
AG001N5A
Chemical Name:
1(3H)-Isobenzofuranone, 3-(3,4-dimethoxyphenyl)-4,5,6-trimethoxy-
CAS Number:
151167-06-5
Molecular Formula:
C19H20O7
Molecular Weight:
360.3579
IUPAC Name:
3-(3,4-dimethoxyphenyl)-4,5,6-trimethoxy-3H-2-benzofuran-1-one
InChI:
InChI=1S/C19H20O7/c1-21-12-7-6-10(8-13(12)22-2)16-15-11(19(20)26-16)9-14(23-3)17(24-4)18(15)25-5/h6-9,16H,1-5H3
InChI Key:
LEKGYQWLMUVRGY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)C1OC(=O)c2c1c(OC)c(c(c2)OC)OC
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.362g/mol
Monoisotopic Mass:
360.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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