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143727-94-0 | 1,3-Benzenediol, 4-(7-methylfuro[2,3-f]-1,3-benzodioxol-6-yl)-
CAS No: 143727-94-0 Catalog No: AG001IAV MDL No:
Product Description
Catalog Number:
AG001IAV
Chemical Name:
1,3-Benzenediol, 4-(7-methylfuro[2,3-f]-1,3-benzodioxol-6-yl)-
CAS Number:
143727-94-0
Molecular Formula:
C16H12O5
Molecular Weight:
284.2635
IUPAC Name:
4-(7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)benzene-1,3-diol
InChI:
InChI=1S/C16H12O5/c1-8-11-5-14-15(20-7-19-14)6-13(11)21-16(8)10-3-2-9(17)4-12(10)18/h2-6,17-18H,7H2,1H3
InChI Key:
HBEJMBQIOQUAHZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)c1oc2c(c1C)cc1c(c2)OCO1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.267g/mol
Monoisotopic Mass:
284.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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