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89764-69-2 | Benzene, 1-[4-(3,4-diethoxyphenyl)-4-methylpentyl]-3-phenoxy-
CAS No: 89764-69-2 Catalog No: AG00403D MDL No:
Product Description
Catalog Number:
AG00403D
Chemical Name:
Benzene, 1-[4-(3,4-diethoxyphenyl)-4-methylpentyl]-3-phenoxy-
CAS Number:
89764-69-2
Molecular Formula:
C28H34O3
Molecular Weight:
418.5678
IUPAC Name:
1,2-diethoxy-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
InChI:
InChI=1S/C28H34O3/c1-5-29-26-18-17-23(21-27(26)30-6-2)28(3,4)19-11-13-22-12-10-16-25(20-22)31-24-14-8-7-9-15-24/h7-10,12,14-18,20-21H,5-6,11,13,19H2,1-4H3
InChI Key:
PUPAKFKDGONGLH-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC)C(CCCc1cccc(c1)Oc1ccccc1)(C)C
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.251g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.577g/mol
Monoisotopic Mass:
418.251g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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