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823792-05-8 | 2H-Pyran, tetrahydro-2-[(7-methoxy-10-undecen-5-ynyl)oxy]-
CAS No: 823792-05-8 Catalog No: AG004Y9F MDL No:
Product Description
Catalog Number:
AG004Y9F
Chemical Name:
2H-Pyran, tetrahydro-2-[(7-methoxy-10-undecen-5-ynyl)oxy]-
CAS Number:
823792-05-8
Molecular Formula:
C17H28O3
Molecular Weight:
280.4024
IUPAC Name:
2-(7-methoxyundec-10-en-5-ynoxy)oxane
InChI:
InChI=1S/C17H28O3/c1-3-4-11-16(18-2)12-7-5-6-9-14-19-17-13-8-10-15-20-17/h3,16-17H,1,4-6,8-11,13-15H2,2H3
InChI Key:
TZROBRWNMATBBE-UHFFFAOYSA-N
SMILES:
C=CCCC(C#CCCCCOC1CCCCO1)OC
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.204g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.408g/mol
Monoisotopic Mass:
280.204g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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