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89503-38-8 | 4,8-Dodecadienal, 12-(1,3-dioxolan-2-yl)-4,8-dimethyl-, (Z,Z)-
CAS No: 89503-38-8 Catalog No: AG0041OF MDL No:
Product Description
Catalog Number:
AG0041OF
Chemical Name:
4,8-Dodecadienal, 12-(1,3-dioxolan-2-yl)-4,8-dimethyl-, (Z,Z)-
CAS Number:
89503-38-8
Molecular Formula:
C17H28O3
Molecular Weight:
280.4024
IUPAC Name:
12-(1,3-dioxolan-2-yl)-4,8-dimethyldodeca-4,8-dienal
InChI:
InChI=1S/C17H28O3/c1-15(8-5-9-16(2)10-6-12-18)7-3-4-11-17-19-13-14-20-17/h7,9,12,17H,3-6,8,10-11,13-14H2,1-2H3
InChI Key:
RFRXWWYYJYGUSP-UHFFFAOYSA-N
SMILES:
O=CCC/C(=C\CC/C(=C\CCCC1OCCO1)/C)/C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.204g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.408g/mol
Monoisotopic Mass:
280.204g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.7
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