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113831-55-3 | Octanal, 2,4,5,7,7-pentamethyl-
CAS No: 113831-55-3 Catalog No: AG0009UH MDL No:
Product Description
Catalog Number:
AG0009UH
Chemical Name:
Octanal, 2,4,5,7,7-pentamethyl-
CAS Number:
113831-55-3
Molecular Formula:
C13H26O
Molecular Weight:
198.3449
IUPAC Name:
2,4,5,7,7-pentamethyloctanal
InChI:
InChI=1S/C13H26O/c1-10(9-14)7-11(2)12(3)8-13(4,5)6/h9-12H,7-8H2,1-6H3
InChI Key:
BLSRNKWUIXLQSZ-UHFFFAOYSA-N
SMILES:
O=CC(CC(C(CC(C)(C)C)C)C)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.198g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.35g/mol
Monoisotopic Mass:
198.198g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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