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113831-56-4 | 2-Octenal, 2,5,7,7-tetramethyl-
CAS No: 113831-56-4 Catalog No: AG0009UG MDL No:
Product Description
Catalog Number:
AG0009UG
Chemical Name:
2-Octenal, 2,5,7,7-tetramethyl-
CAS Number:
113831-56-4
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
2,5,7,7-tetramethyloct-2-enal
InChI:
InChI=1S/C12H22O/c1-10(8-12(3,4)5)6-7-11(2)9-13/h7,9-10H,6,8H2,1-5H3
InChI Key:
KJBZCUDWRAGIKG-UHFFFAOYSA-N
SMILES:
O=CC(=CCC(CC(C)(C)C)C)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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