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187852-23-9 | Cyclododecanone, 2-(1-methylhexylidene)-, (2E)-
CAS No: 187852-23-9 Catalog No: AG002GJ5 MDL No:
Product Description
Catalog Number:
AG002GJ5
Chemical Name:
Cyclododecanone, 2-(1-methylhexylidene)-, (2E)-
CAS Number:
187852-23-9
Molecular Formula:
C19H34O
Molecular Weight:
278.4727
IUPAC Name:
2-heptan-2-ylidenecyclododecan-1-one
InChI:
InChI=1S/C19H34O/c1-3-4-11-14-17(2)18-15-12-9-7-5-6-8-10-13-16-19(18)20/h3-16H2,1-2H3
InChI Key:
PMUVJQHJSXHQFT-UHFFFAOYSA-N
SMILES:
CCCCC/C(=C/1\CCCCCCCCCCC1=O)/C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.261g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.48g/mol
Monoisotopic Mass:
278.261g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.7
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