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112-06-1 | Heptyl acetate
CAS No: 112-06-1 Catalog No: AG003QV2 MDL No:MFCD00027311
Product Description
Catalog Number:
AG003QV2
Chemical Name:
Heptyl acetate
CAS Number:
112-06-1
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD00027311
IUPAC Name:
heptyl acetate
InChI:
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
InChI Key:
ZCZSIDMEHXZRLG-UHFFFAOYSA-N
SMILES:
CCCCCCCOC(=O)C
EC Number:
203-932-8
UNII:
6551B78I5U
NSC Number:
3833
FEMA Number:
2547
UN Number:
1993
Properties
Complexity:
99.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Floral to green: mating switches moth olfactory coding and preference. | Proceedings. Biological sciences 20120622 |
| Herbivory by a Phloem-feeding insect inhibits floral volatile production. | PloS one 20120101 |
| Monoterpene variation mediated attack preference evolution of the bark beetle Dendroctonus valens. | PloS one 20110101 |
| Comparative analysis of the volatile fraction of fruit juice from different Citrus species. | PloS one 20110101 |
| Odorant-binding proteins of the malaria mosquito Anopheles funestus sensu stricto. | PloS one 20100101 |
| 3,3'-Difluoro-4,4'-(p-phenyl-enedi-oxy)dibenzonitrile. | Acta crystallographica. Section E, Structure reports online 20091001 |
| The production of myco-diesel hydrocarbons and their derivatives by the endophytic fungus Gliocladium roseum (NRRL 50072). | Microbiology (Reading, England) 20081101 |
| Volatile constituents of redblush grapefruit (Citrus paradisi) and pummelo (Citrus grandis) peel essential oils from Kenya. | Journal of agricultural and food chemistry 20051214 |
| LC/MS/MS plasma assay for the peptidomimetic VLA4 antagonist I and its major active metabolite II: for treatment of asthma by inhalation. | Journal of pharmaceutical and biomedical analysis 20020101 |
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