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13991-42-9 | [1,1'-Biphenyl]-2,2'-diol, 3,3'-dimethoxy-5,5'-dipropyl-
CAS No: 13991-42-9 Catalog No: AG001BSW MDL No:
Product Description
Catalog Number:
AG001BSW
Chemical Name:
[1,1'-Biphenyl]-2,2'-diol, 3,3'-dimethoxy-5,5'-dipropyl-
CAS Number:
13991-42-9
Molecular Formula:
C20H26O4
Molecular Weight:
330.4180
IUPAC Name:
2-(2-hydroxy-3-methoxy-5-propylphenyl)-6-methoxy-4-propylphenol
InChI:
InChI=1S/C20H26O4/c1-5-7-13-9-15(19(21)17(11-13)23-3)16-10-14(8-6-2)12-18(24-4)20(16)22/h9-12,21-22H,5-8H2,1-4H3
InChI Key:
BTTCEFCKFDSNET-UHFFFAOYSA-N
SMILES:
CCCc1cc(OC)c(c(c1)c1cc(CCC)cc(c1O)OC)O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.183g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.424g/mol
Monoisotopic Mass:
330.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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