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28467-88-1 | 2-Hexenal, 2-methyl-
CAS No: 28467-88-1 Catalog No: AG002VE5 MDL No:
Product Description
Catalog Number:
AG002VE5
Chemical Name:
2-Hexenal, 2-methyl-
CAS Number:
28467-88-1
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
2-methylhex-2-enal
InChI:
InChI=1S/C7H12O/c1-3-4-5-7(2)6-8/h5-6H,3-4H2,1-2H3
InChI Key:
BRLKFSODKAIVGM-UHFFFAOYSA-N
SMILES:
CC(=CCCC)C=O
Properties
Complexity:
92.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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