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6836-19-7 | 7-Methoxy-1-tetralone
CAS No: 6836-19-7 Catalog No: AG003NFX MDL No:MFCD00001696
Product Description
Catalog Number:
AG003NFX
Chemical Name:
7-Methoxy-1-tetralone
CAS Number:
6836-19-7
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD00001696
IUPAC Name:
7-methoxy-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C11H12O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7H,2-4H2,1H3
InChI Key:
GABLTKRIYDNDIN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)CCC2
EC Number:
229-916-0
NSC Number:
97611
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| 7-Meth-oxy-3,4-dihydro-naphthalen-1(2H)-one. | Acta crystallographica. Section E, Structure reports online 20110701 |
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