Identification

PhytoHub ID
PHUB001028
Name
Myrtenic acid
Synonyms
Not Available
CAS Number
Not Available
Average Mass
166.22
Monoisotopic Mass
166.099379691
Chemical Formula
C10H14O2
IUPAC Name
myrtenic acid
InChI Key
XPHVDOXZJRTIMV-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)
SMILES
CC1(C)C2CC1C(=CC2)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
2.08e+00 g/l
LogS (ALOGPS)
-1.90
LogP (ALOGPS)
2.49
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
37.3
Refractivity
46.4395
Polarizability
18.24439621981654
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
Not Available
pKa (strongest acidic)
4.8419393221697336
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Pinene-alphaTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Pinene-alpha Myrtenic acidrabbiturineC10H14O2166.099379691 Publications
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