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79994-21-1 | 2-Dibenzofurancarboxylicacid, 3-hydroxy-7-methoxy-1,9-dipentyl-
CAS No: 79994-21-1 Catalog No: AG0054BR MDL No:
Product Description
Catalog Number:
AG0054BR
Chemical Name:
2-Dibenzofurancarboxylicacid, 3-hydroxy-7-methoxy-1,9-dipentyl-
CAS Number:
79994-21-1
Molecular Formula:
C24H30O5
Molecular Weight:
398.4920
IUPAC Name:
3-hydroxy-7-methoxy-1,9-dipentyldibenzofuran-2-carboxylic acid
InChI:
InChI=1S/C24H30O5/c1-4-6-8-10-15-12-16(28-3)13-19-21(15)23-17(11-9-7-5-2)22(24(26)27)18(25)14-20(23)29-19/h12-14,25H,4-11H2,1-3H3,(H,26,27)
InChI Key:
JJNLMPAFVQRTIH-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(OC)cc2c1c1c(o2)cc(c(c1CCCCC)C(=O)O)O
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.209g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.499g/mol
Monoisotopic Mass:
398.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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