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102590-07-8 | Methanone, bis[2-hydroxy-4-(pentyloxy)phenyl]-
CAS No: 102590-07-8 Catalog No: AG0007V5 MDL No:
Product Description
Catalog Number:
AG0007V5
Chemical Name:
Methanone, bis[2-hydroxy-4-(pentyloxy)phenyl]-
CAS Number:
102590-07-8
Molecular Formula:
C23H30O5
Molecular Weight:
386.4813
IUPAC Name:
bis(2-hydroxy-4-pentoxyphenyl)methanone
InChI:
InChI=1S/C23H30O5/c1-3-5-7-13-27-17-9-11-19(21(24)15-17)23(26)20-12-10-18(16-22(20)25)28-14-8-6-4-2/h9-12,15-16,24-25H,3-8,13-14H2,1-2H3
InChI Key:
PDFSRDCIVOOOBT-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(c(c1)O)C(=O)c1ccc(cc1O)OCCCCC
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.209g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.488g/mol
Monoisotopic Mass:
386.209g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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