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113494-64-7 | Phenol, 2-[1-heptyl-8-(3-hydroxyphenyl)octyl]-
CAS No: 113494-64-7 Catalog No: AG0008RQ MDL No:
Product Description
Catalog Number:
AG0008RQ
Chemical Name:
Phenol, 2-[1-heptyl-8-(3-hydroxyphenyl)octyl]-
CAS Number:
113494-64-7
Molecular Formula:
C27H40O2
Molecular Weight:
396.6053
IUPAC Name:
2-[1-(3-hydroxyphenyl)pentadecan-8-yl]phenol
InChI:
InChI=1S/C27H40O2/c1-2-3-4-6-10-17-24(26-20-12-13-21-27(26)29)18-11-8-5-7-9-15-23-16-14-19-25(28)22-23/h12-14,16,19-22,24,28-29H,2-11,15,17-18H2,1H3
InChI Key:
LOZQQTPLQXYETL-UHFFFAOYSA-N
SMILES:
CCCCCCCC(c1ccccc1O)CCCCCCCc1cccc(c1)O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.303g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
396.615g/mol
Monoisotopic Mass:
396.303g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.3
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