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82898-60-0 | 4-Hexenal, 2-ethyl-2,5-dimethyl-
CAS No: 82898-60-0 Catalog No: AG004YZV MDL No:
Product Description
Catalog Number:
AG004YZV
Chemical Name:
4-Hexenal, 2-ethyl-2,5-dimethyl-
CAS Number:
82898-60-0
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
2-ethyl-2,5-dimethylhex-4-enal
InChI:
InChI=1S/C10H18O/c1-5-10(4,8-11)7-6-9(2)3/h6,8H,5,7H2,1-4H3
InChI Key:
LOQNRQKPDZGEBZ-UHFFFAOYSA-N
SMILES:
CCC(CC=C(C)C)(C=O)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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