2,6-dimethoxylp-cymened

2,6-dimethoxylp-cymened
Compound Structure:
Synonyms: 2,6-dimethoxycymene;2,6-Dimethoxy-p-cymene;291774-65-7
Compound ID: NMPC-201
PubChem ID:

6428964
Molecular Formula: C12H18O2
Canonical SMILES: CC1=C(C=C(C=C1OC)C(C)C)OC
InChIKey: RWENJYLCELUBAE-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

194.27 g/mol

XLogP3-AA

3.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

3

Exact Mass

194.130679813 g/mol

Monoisotopic Mass

194.130679813 g/mol

Topological Polar Surface Area

18.5Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

154

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                       

 
Source Species: Tagetes erecta
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