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85614-43-3 | Methyl 5-allyl-2-hydroxy-3-methoxybenzoate
CAS No: 85614-43-3 Catalog No: AG003RWV MDL No:MFCD04038819
Product Description
Catalog Number:
AG003RWV
Chemical Name:
Methyl 5-allyl-2-hydroxy-3-methoxybenzoate
CAS Number:
85614-43-3
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD04038819
IUPAC Name:
methyl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
InChI:
InChI=1S/C12H14O4/c1-4-5-8-6-9(12(14)16-3)11(13)10(7-8)15-2/h4,6-7,13H,1,5H2,2-3H3
InChI Key:
LYSUGZLJKRSLHM-UHFFFAOYSA-N
SMILES:
C=CCc1cc(OC)c(c(c1)C(=O)OC)O
EC Number:
287-929-7
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| An improved synthesis of dopamine D2/D3 receptor radioligands [11C]fallypride and [18F]fallypride. | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20100601 |
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