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Nerylgeraniol-18-oic acid

CAT: 0931-T126119-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T126119-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
126794-69-2
Target
Others
Related Pathways
Others
Bioactivity
Nerylgeraniol-18-oic acid is a useful organic compound for research related to life sciences. The catalog number is T126119 and the CAS number is 126794-69-2.
Smiles
CC(C)=CCC\C(=C/CC\C(C)=C\CC\C(C)=C\CO)C(O)=O
Molecular Formula
C20H32O3
Molecular Weight
320.473
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isonerylgeraniol-18-oic acid

Isonerylgeraniol-18-oic acid is a diterpenoid.

CAS Number126794-69-2
PubChem CID11232455
IUPAC Name(2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
Molecular FormulaC20H32O3
Molecular Weight320.5
XLogP5.3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity475
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C(=O)O)C
InChI
InChI=1S/C20H32O3/c1-16(2)8-5-12-19(20(22)23)13-7-11-17(3)9-6-10-18(4)14-15-21/h8-9,13-14,21H,5-7,10-12,15H2,1-4H3,(H,22,23)/b17-9+,18-14+,19-13-
InChIKey
USXGDFAHMRCBBX-AGZUIYMTSA-N
Chemical Structure
2D Structure
2D structure of Isonerylgeraniol-18-oic acid
CAS: 126794-69-2
CID: 11232455
Formula: C20H32O3
MW: 320.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.5
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass320.23514488
Monoisotopic Mass320.23514488
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity475
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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