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76773-99-4 | Phenol, 2,3-dimethoxy-5-(2-propenyl)-
CAS No: 76773-99-4 Catalog No: AG005IC4 MDL No:
Product Description
Catalog Number:
AG005IC4
Chemical Name:
Phenol, 2,3-dimethoxy-5-(2-propenyl)-
CAS Number:
76773-99-4
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
2,3-dimethoxy-5-prop-2-enylphenol
InChI:
InChI=1S/C11H14O3/c1-4-5-8-6-9(12)11(14-3)10(7-8)13-2/h4,6-7,12H,1,5H2,2-3H3
InChI Key:
WIGZLFBLFZYGEE-UHFFFAOYSA-N
SMILES:
C=CCc1cc(OC)c(c(c1)O)OC
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Metabolism of (-)-grandisin from Piper solmsianum in Coleoptera and Lepidoptera species. | Phytochemistry 20080801 |
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