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825627-99-4 | 1-Heptanol, 3-[(4-methoxyphenyl)ethenylidene]-
CAS No: 825627-99-4 Catalog No: AG004YJT MDL No:
Product Description
Catalog Number:
AG004YJT
Chemical Name:
1-Heptanol, 3-[(4-methoxyphenyl)ethenylidene]-
CAS Number:
825627-99-4
Molecular Formula:
C16H22O2
Molecular Weight:
246.3447
IUPAC Name:
3-[2-(4-methoxyphenyl)ethenylidene]heptan-1-ol
InChI:
InChI=1S/C16H22O2/c1-3-4-5-14(12-13-17)6-7-15-8-10-16(18-2)11-9-15/h7-11,17H,3-5,12-13H2,1-2H3
InChI Key:
HUTNYQFDOLOXTC-UHFFFAOYSA-N
SMILES:
CCCCC(=C=Cc1ccc(cc1)OC)CCO
Properties
Complexity:
269
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.35g/mol
Monoisotopic Mass:
246.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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