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29106-17-0 | Phenol, 2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3-methoxy-5-pentyl-
CAS No: 29106-17-0 Catalog No: AG002XCM MDL No:
Product Description
Catalog Number:
AG002XCM
Chemical Name:
Phenol, 2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3-methoxy-5-pentyl-
CAS Number:
29106-17-0
Molecular Formula:
C22H34O2
Molecular Weight:
330.5042
IUPAC Name:
2-(3,7-dimethylocta-2,6-dienyl)-3-methoxy-5-pentylphenol
InChI:
InChI=1S/C22H34O2/c1-6-7-8-12-19-15-21(23)20(22(16-19)24-5)14-13-18(4)11-9-10-17(2)3/h10,13,15-16,23H,6-9,11-12,14H2,1-5H3
InChI Key:
KASVLYINZPAMNS-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(O)c(c(c1)OC)C/C=C(/CCC=C(C)C)\C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.256g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.512g/mol
Monoisotopic Mass:
330.256g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.7
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