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87519-42-4 | 3-Dodecynoic acid, 11-[(2-methoxyethoxy)methoxy]-, (R)-
CAS No: 87519-42-4 Catalog No: AG004F6W MDL No:
Product Description
Catalog Number:
AG004F6W
Chemical Name:
3-Dodecynoic acid, 11-[(2-methoxyethoxy)methoxy]-, (R)-
CAS Number:
87519-42-4
Molecular Formula:
C16H28O5
Molecular Weight:
300.3905
IUPAC Name:
(11R)-11-(2-methoxyethoxymethoxy)dodec-3-ynoic acid
InChI:
InChI=1S/C16H28O5/c1-15(21-14-20-13-12-19-2)10-8-6-4-3-5-7-9-11-16(17)18/h15H,3-6,8,10-14H2,1-2H3,(H,17,18)/t15-/m1/s1
InChI Key:
URWZNJDIXVJBJV-OAHLLOKOSA-N
SMILES:
COCCOCO[C@@H](CCCCCCC#CCC(=O)O)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
300.194g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.395g/mol
Monoisotopic Mass:
300.194g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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