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131-87-3 | Benzene, 1,1'-(1,2-diethyl-3-methyl-1,3-propanediyl)bis[4-methoxy- (9CI)
CAS No: 131-87-3 Catalog No: AG000VB4 MDL No:
Product Description
Catalog Number:
AG000VB4
Chemical Name:
Benzene, 1,1'-(1,2-diethyl-3-methyl-1,3-propanediyl)bis[4-methoxy- (9CI)
CAS Number:
131-87-3
Molecular Formula:
C22H30O2
Molecular Weight:
326.4724
IUPAC Name:
1-[3-ethyl-4-(4-methoxyphenyl)hexan-2-yl]-4-methoxybenzene
InChI:
InChI=1S/C22H30O2/c1-6-21(16(3)17-8-12-19(23-4)13-9-17)22(7-2)18-10-14-20(24-5)15-11-18/h8-16,21-22H,6-7H2,1-5H3
InChI Key:
HRTJXPLKDGPKLQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C(C(c1ccc(cc1)OC)CC)CC)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.225g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.48g/mol
Monoisotopic Mass:
326.225g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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