Identification

PhytoHub ID
PHUB000043
Name
Geranic acid (trans-)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
168.236
Monoisotopic Mass
168.115029755
Chemical Formula
C10H16O2
IUPAC Name
geranic acid
InChI Key
ZHYZQXUYZJNEHD-VQHVLOKHSA-N
InChI Identifier
InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
SMILES
CC(C)=CCC\C(C)=C\C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.22e+00 g/l
LogS (ALOGPS)
-2.14
LogP (ALOGPS)
2.72
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
4
Polar Surface Area
37.3
Refractivity
51.049499999999995
Polarizability
19.525779959869926
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
Not Available
pKa (strongest acidic)
5.2570869216140945
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP004756MassBankEI-B Spectrum - -, [M]+*View Spectra
JP009777MassBankEI-B Spectrum - -, [M]+*View Spectra
JP009778MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow

Metabolism

No metabolism information available

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