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189024-35-9 | Naphtho[2,3-c]furan-1(3H)-one, 3a,4-dihydro-5,8,9-trimethoxy-
CAS No: 189024-35-9 Catalog No: AG002HPX MDL No:
Product Description
Catalog Number:
AG002HPX
Chemical Name:
Naphtho[2,3-c]furan-1(3H)-one, 3a,4-dihydro-5,8,9-trimethoxy-
CAS Number:
189024-35-9
Molecular Formula:
C15H16O5
Molecular Weight:
276.2845
IUPAC Name:
4,5,8-trimethoxy-9,9a-dihydro-1H-benzo[f][2]benzofuran-3-one
InChI:
InChI=1S/C15H16O5/c1-17-10-4-5-11(18-2)13-9(10)6-8-7-20-15(16)12(8)14(13)19-3/h4-5,8H,6-7H2,1-3H3
InChI Key:
HQPAOJKKCUCTNE-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1C(=C1C(=O)OCC1C2)OC)OC
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.288g/mol
Monoisotopic Mass:
276.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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