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88941-16-6 | 4,7-Nonadienal, 9-chloro-3,3,7-trimethyl-, (E,E)-
CAS No: 88941-16-6 Catalog No: AG0048DY MDL No:
Product Description
Catalog Number:
AG0048DY
Chemical Name:
4,7-Nonadienal, 9-chloro-3,3,7-trimethyl-, (E,E)-
CAS Number:
88941-16-6
Molecular Formula:
C12H19ClO
Molecular Weight:
214.7317
IUPAC Name:
9-chloro-3,3,7-trimethylnona-4,7-dienal
InChI:
InChI=1S/C12H19ClO/c1-11(6-9-13)5-4-7-12(2,3)8-10-14/h4,6-7,10H,5,8-9H2,1-3H3
InChI Key:
NHZBTNXOASEJIG-UHFFFAOYSA-N
SMILES:
O=CCC(/C=C/C/C(=C/CCl)/C)(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.112g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.733g/mol
Monoisotopic Mass:
214.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.5
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