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20849-82-5 | Benzene, 1-methoxy-4-(2-methyl-2-propen-1-yl)-
CAS No: 20849-82-5 Catalog No: AG002JQK MDL No:MFCD07698654
Product Description
Catalog Number:
AG002JQK
Chemical Name:
Benzene, 1-methoxy-4-(2-methyl-2-propen-1-yl)-
CAS Number:
20849-82-5
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD07698654
IUPAC Name:
1-methoxy-4-(2-methylprop-2-enyl)benzene
InChI:
InChI=1S/C11H14O/c1-9(2)8-10-4-6-11(12-3)7-5-10/h4-7H,1,8H2,2-3H3
InChI Key:
HXRBMAXKVVLXFD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(=C)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Design and synthesis of 4-methoxyphenylacetic acid esters as 15-lipoxygenase inhibitors and SAR comparative studies of them. | Bioorganic & medicinal chemistry 20090315 |
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