Plinyl Acetate

CAT: 1596-AR-L07391-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07391-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

94346-09-5

Molecular Formula

C12H20O2

Molecular Weight

196.29

API Name

Linalool

Chemical Information

1,2-Dimethyl-3-(prop-1-en-2-yl)cyclopentyl acetate

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CAS Number	94346-09-5
PubChem CID	21156163
IUPAC Name	(1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate
Molecular Formula	C12H20O2
Molecular Weight	196.29
XLogP	3.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	257

SMILES

CC1C(CCC1(C)OC(=O)C)C(=C)C

InChI

InChI=1S/C12H20O2/c1-8(2)11-6-7-12(5,9(11)3)14-10(4)13/h9,11H,1,6-7H2,2-5H3

InChIKey

NKWCOKZUKIEZAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 94346-09-5

CID: 21156163

Formula: C12H20O2

MW: 196.29

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	196.29
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	196.146329876
Monoisotopic Mass	196.146329876
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	257
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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