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114340-64-6 | Cyclododecanone, 2-[3-(1-ethoxyethoxy)propyl]-
CAS No: 114340-64-6 Catalog No: AG000B45 MDL No:
Product Description
Catalog Number:
AG000B45
Chemical Name:
Cyclododecanone, 2-[3-(1-ethoxyethoxy)propyl]-
CAS Number:
114340-64-6
Molecular Formula:
C19H36O3
Molecular Weight:
312.4873
IUPAC Name:
2-[3-(1-ethoxyethoxy)propyl]cyclododecan-1-one
InChI:
InChI=1S/C19H36O3/c1-3-21-17(2)22-16-12-14-18-13-10-8-6-4-5-7-9-11-15-19(18)20/h17-18H,3-16H2,1-2H3
InChI Key:
MQGANQCPUOVYDA-UHFFFAOYSA-N
SMILES:
CCOC(OCCCC1CCCCCCCCCCC1=O)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.266g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.494g/mol
Monoisotopic Mass:
312.266g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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