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78-37-5 | 3,7-Dimethylocta-1,6-dien-3-yl cinnamate
CAS No: 78-37-5 Catalog No: AG005BEO MDL No:MFCD00048303
Product Description
Catalog Number:
AG005BEO
Chemical Name:
3,7-Dimethylocta-1,6-dien-3-yl cinnamate
CAS Number:
78-37-5
Molecular Formula:
C19H24O2
Molecular Weight:
284.3927
MDL Number:
MFCD00048303
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl (E)-3-phenylprop-2-enoate
InChI:
InChI=1S/C19H24O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-14H,1,9,15H2,2-4H3/b14-13+
InChI Key:
DPFUEXLIKDHJNB-BUHFOSPRSA-N
SMILES:
C=CC(OC(=O)/C=C/c1ccccc1)(CCC=C(C)C)C
EC Number:
201-110-3
NSC Number:
46163
FEMA Number:
2641
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
284.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.399g/mol
Monoisotopic Mass:
284.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| Addendum to fragrance material review on linalyl cinnamate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070101 |
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