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88018-76-2 | 2-Octenal, 2-methyl-, (Z)-
CAS No: 88018-76-2 Catalog No: AG004JSH MDL No:
Product Description
Catalog Number:
AG004JSH
Chemical Name:
2-Octenal, 2-methyl-, (Z)-
CAS Number:
88018-76-2
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
2-methyloct-2-enal
InChI:
InChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h7-8H,3-6H2,1-2H3
InChI Key:
IHZRGRBFNMNNFV-UHFFFAOYSA-N
SMILES:
C/C(=C/CCCCC)/C=O
Properties
Complexity:
114
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:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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