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88456-18-2 | 2-Hexenal, 2-ethyl-5-methyl-
CAS No: 88456-18-2 Catalog No: AG004IMX MDL No:
Product Description
Catalog Number:
AG004IMX
Chemical Name:
2-Hexenal, 2-ethyl-5-methyl-
CAS Number:
88456-18-2
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
2-ethyl-5-methylhex-2-enal
InChI:
InChI=1S/C9H16O/c1-4-9(7-10)6-5-8(2)3/h6-8H,4-5H2,1-3H3
InChI Key:
QKCAEWRBXWLRCE-UHFFFAOYSA-N
SMILES:
CCC(=CCC(C)C)C=O
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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