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141672-40-4 | 2,4,6-Cycloheptatrien-1-one, 5-(decyloxy)-2-hydroxy-
CAS No: 141672-40-4 Catalog No: AG001GVH MDL No:
Product Description
Catalog Number:
AG001GVH
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 5-(decyloxy)-2-hydroxy-
CAS Number:
141672-40-4
Molecular Formula:
C17H26O3
Molecular Weight:
278.3865
IUPAC Name:
5-decoxy-2-hydroxycyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-14-20-15-10-12-16(18)17(19)13-11-15/h10-13H,2-9,14H2,1H3,(H,18,19)
InChI Key:
HYBNEPIXBNMFMV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(=O)c(cc1)O
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.188g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.188g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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