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113541-76-7 | Cyclotridecane, 1-methoxy-2-methylene-
CAS No: 113541-76-7 Catalog No: AG0008XQ MDL No:
Product Description
Catalog Number:
AG0008XQ
Chemical Name:
Cyclotridecane, 1-methoxy-2-methylene-
CAS Number:
113541-76-7
Molecular Formula:
C15H28O
Molecular Weight:
224.3822
IUPAC Name:
1-methoxy-2-methylidenecyclotridecane
InChI:
InChI=1S/C15H28O/c1-14-12-10-8-6-4-3-5-7-9-11-13-15(14)16-2/h15H,1,3-13H2,2H3
InChI Key:
QFTYQKWKMIBMJA-UHFFFAOYSA-N
SMILES:
COC1CCCCCCCCCCCC1=C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.214g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.388g/mol
Monoisotopic Mass:
224.214g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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