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88443-85-0 | Cycloheptaneundecanoic acid, methyl ester
CAS No: 88443-85-0 Catalog No: AG004JKA MDL No:
Product Description
Catalog Number:
AG004JKA
Chemical Name:
Cycloheptaneundecanoic acid, methyl ester
CAS Number:
88443-85-0
Molecular Formula:
C19H36O2
Molecular Weight:
296.4879
IUPAC Name:
methyl 11-cycloheptylundecanoate
InChI:
InChI=1S/C19H36O2/c1-21-19(20)17-13-7-5-3-2-4-6-10-14-18-15-11-8-9-12-16-18/h18H,2-17H2,1H3
InChI Key:
HCLQCBCRKUNNIW-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCC1CCCCCC1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.272g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.495g/mol
Monoisotopic Mass:
296.272g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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