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80816-32-6 | 4-Nonenal, 3-methyl-, (E)-
CAS No: 80816-32-6 Catalog No: AG00517F MDL No:
Product Description
Catalog Number:
AG00517F
Chemical Name:
4-Nonenal, 3-methyl-, (E)-
CAS Number:
80816-32-6
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
3-methylnon-4-enal
InChI:
InChI=1S/C10H18O/c1-3-4-5-6-7-10(2)8-9-11/h6-7,9-10H,3-5,8H2,1-2H3
InChI Key:
ZPHNIPJSRUBRFV-UHFFFAOYSA-N
SMILES:
CCCC/C=C/C(CC=O)C
Properties
Complexity:
116
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:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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