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25936-93-0 | Naphtho[2,3-c]furan-1,3-dione, 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-
CAS No: 25936-93-0 Catalog No: AG002R4M MDL No:
Product Description
Catalog Number:
AG002R4M
Chemical Name:
Naphtho[2,3-c]furan-1,3-dione, 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-
CAS Number:
25936-93-0
Molecular Formula:
C22H18O7
Molecular Weight:
394.3741
IUPAC Name:
4-(3,4-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran-1,3-dione
InChI:
InChI=1S/C22H18O7/c1-25-15-6-5-11(8-16(15)26-2)19-13-10-18(28-4)17(27-3)9-12(13)7-14-20(19)22(24)29-21(14)23/h5-10H,1-4H3
InChI Key:
ZMLLPZKAUSYACL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)c1c2C(=O)OC(=O)c2cc2c1cc(OC)c(c2)OC
NSC Number:
113035
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.105g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.379g/mol
Monoisotopic Mass:
394.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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