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Home > Other Heterocycles > 6938-17-6
6938-17-6 | 6-oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester
CAS No: 6938-17-6 Catalog No: AG00600K MDL No:
Product Description
Catalog Number:
AG00600K
Chemical Name:
6-oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester
CAS Number:
6938-17-6
Molecular Formula:
C17H30O3
Molecular Weight:
282.4183
IUPAC Name:
methyl 11-(6-oxabicyclo[3.1.0]hexan-2-yl)undecanoate
InChI:
InChI=1S/C17H30O3/c1-19-16(18)11-9-7-5-3-2-4-6-8-10-14-12-13-15-17(14)20-15/h14-15,17H,2-13H2,1H3
InChI Key:
JXXIAKRPDCYUOP-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCC1CCC2C1O2
NSC Number:
53905
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.219g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.424g/mol
Monoisotopic Mass:
282.219g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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