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877775-84-3 | Benzene, 1,3-bis[(4-methoxyphenyl)methyl]-
CAS No: 877775-84-3 Catalog No: AG004IBK MDL No:
Product Description
Catalog Number:
AG004IBK
Chemical Name:
Benzene, 1,3-bis[(4-methoxyphenyl)methyl]-
CAS Number:
877775-84-3
Molecular Formula:
C22H22O2
Molecular Weight:
318.4089
IUPAC Name:
1,3-bis[(4-methoxyphenyl)methyl]benzene
InChI:
InChI=1S/C22H22O2/c1-23-21-10-6-17(7-11-21)14-19-4-3-5-20(16-19)15-18-8-12-22(24-2)13-9-18/h3-13,16H,14-15H2,1-2H3
InChI Key:
ISGPULCAXFQDLM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cc1cccc(c1)Cc1ccc(cc1)OC
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.162g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.416g/mol
Monoisotopic Mass:
318.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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