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89637-72-9 | 4,8-Decadienal, 10-(benzoyloxy)-4,8-dimethyl-
CAS No: 89637-72-9 Catalog No: AG003WIB MDL No:
Product Description
Catalog Number:
AG003WIB
Chemical Name:
4,8-Decadienal, 10-(benzoyloxy)-4,8-dimethyl-
CAS Number:
89637-72-9
Molecular Formula:
C19H24O3
Molecular Weight:
300.3921
IUPAC Name:
(3,7-dimethyl-10-oxodeca-2,6-dienyl) benzoate
InChI:
InChI=1S/C19H24O3/c1-16(10-7-14-20)8-6-9-17(2)13-15-22-19(21)18-11-4-3-5-12-18/h3-5,8,11-14H,6-7,9-10,15H2,1-2H3
InChI Key:
MOSKWLLUTJXZCP-UHFFFAOYSA-N
SMILES:
O=CCCC(=CCCC(=CCOC(=O)c1ccccc1)C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.398g/mol
Monoisotopic Mass:
300.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.5
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