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114119-97-0 | Octanal, 2,5,7,7-tetramethyl-
CAS No: 114119-97-0 Catalog No: AG000AM0 MDL No:
Product Description
Catalog Number:
AG000AM0
Chemical Name:
Octanal, 2,5,7,7-tetramethyl-
CAS Number:
114119-97-0
Molecular Formula:
C12H24O
Molecular Weight:
184.3184
IUPAC Name:
2,5,7,7-tetramethyloctanal
InChI:
InChI=1S/C12H24O/c1-10(8-12(3,4)5)6-7-11(2)9-13/h9-11H,6-8H2,1-5H3
InChI Key:
HZAYXCABCQOHLC-UHFFFAOYSA-N
SMILES:
O=CC(CCC(CC(C)(C)C)C)C
EC Number:
405-690-0
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.183g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.323g/mol
Monoisotopic Mass:
184.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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