Identification

PhytoHub ID
PHUB001008
Name
Myrcene (2-hydroxy, 1-carboxylic acid)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
184.235
Monoisotopic Mass
184.109944375
Chemical Formula
C10H16O3
IUPAC Name
2-hydroxy-7-methyl-3-methylideneoct-6-enoic acid
InChI Key
IMWIABNERYUMHO-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O3/c1-7(2)5-4-6-8(3)9(11)10(12)13/h5,9,11H,3-4,6H2,1-2H3,(H,12,13)
SMILES
CC(C)=CCCC(=C)C(O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
6.51e+00 g/l
LogS (ALOGPS)
-1.45
LogP (ALOGPS)
1.80
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
5
Polar Surface Area
57.53
Refractivity
51.338499999999996
Polarizability
20.32232765937932
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.041001919155678
pKa (strongest acidic)
4.345347397708375
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Precursor Taxonomy

PrecursorFamilyClassSub-class
MyrceneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

Metabolism

PrecursorMetaboliteSpeciesBiofluids
Myrcene Myrcene (2-hydroxy, 1-carboxylic acid)rabbiturine Publications
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