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7492-67-3 | CITRONELLYLOXYACETALDEHYDE
CAS No: 7492-67-3 Catalog No: AG008OKC MDL No:
Product Description
Catalog Number:
AG008OKC
Chemical Name:
CITRONELLYLOXYACETALDEHYDE
CAS Number:
7492-67-3
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
2-(3,7-dimethyloct-6-enoxy)acetaldehyde
InChI:
InChI=1S/C12H22O2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h5,8,12H,4,6-7,9-10H2,1-3H3
InChI Key:
LMETVDMCIJNNKH-UHFFFAOYSA-N
SMILES:
O=CCOCCC(CCC=C(C)C)C
EC Number:
231-324-2
NSC Number:
46126
FEMA Number:
2310
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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