Geraniol-d6

CAT: 0926-RCA06344-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-RCA06344-02Size:50 mg

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

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CAS Number

66063-44-3

Smiles

CC (=CCCC (=CCO) C) C

Molecular Formula

C10H18O

Molecular Weight

160.29 g/mol

Controlled

Chemical Information

Geraniol-D6

CAS Number	66063-44-3
PubChem CID	12233139
IUPAC Name	(2E)-8,8,8-trideuterio-3-methyl-7-(trideuteriomethyl)octa-2,6-dien-1-ol
Molecular Formula	C10H18O
Molecular Weight	160.29
XLogP	2.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	150

SMILES

[2H]C([2H])([2H])C(=CCC/C(=C/CO)/C)C([2H])([2H])[2H]

InChI

InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+/i1D3,2D3

InChIKey

GLZPCOQZEFWAFX-VXNAPGOLSA-N

Chemical Structure

2D Structure

CAS: 66063-44-3

CID: 12233139

Formula: C10H18O

MW: 160.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.29
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	160.173425669
Monoisotopic Mass	160.173425669
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	150
Isotope Atom Count	6
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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