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88109-67-5 | 2H-Pyran, 2-(9-heptadecynyloxy)tetrahydro-
CAS No: 88109-67-5 Catalog No: AG004E9N MDL No:
Product Description
Catalog Number:
AG004E9N
Chemical Name:
2H-Pyran, 2-(9-heptadecynyloxy)tetrahydro-
CAS Number:
88109-67-5
Molecular Formula:
C22H40O2
Molecular Weight:
336.5518
IUPAC Name:
2-heptadec-9-ynoxyoxane
InChI:
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-22-19-16-18-21-24-22/h22H,2-7,10-21H2,1H3
InChI Key:
PHXWTZXVRVVUMD-UHFFFAOYSA-N
SMILES:
CCCCCCCC#CCCCCCCCCOC1CCCCO1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.303g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.56g/mol
Monoisotopic Mass:
336.303g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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