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Amber Musk

CAT: 0013-GTR19260817-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260817-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Amber Musk, an alpha-hydrogen aldehyde, exhibits beef/cooked potato/creamy flavors and occurs in foods like anise, oats, and passion fruit.
CAS Number
83-66-9
Field of Research
Signal Transduction
Purity
99.89% (May vary between batches)
Smiles
COc1c (c (C) c (cc1C (C) (C) C) [N+] ([O-]) =O) [N+] ([O-]) =O
Molecular Formula
C12H16N2O5
Molecular Weight
268.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Musk ambrette

Musk ambrette is a C-nitro compound.

CAS Number83-66-9
PubChem CID6753
IUPAC Name1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
Molecular FormulaC12H16N2O5
Molecular Weight268.27
XLogP3.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity355
SMILES
CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]
InChI
InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3
InChIKey
SUAUILGSCPYJCS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Musk ambrette
CAS: 83-66-9
CID: 6753
Formula: C12H16N2O5
MW: 268.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.27
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass268.10592162
Monoisotopic Mass268.10592162
Topological Polar Surface Area101 Ų
Heavy Atom Count19
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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