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32940-15-1 | 5-Methoxy-2-tetralone
CAS No: 32940-15-1 Catalog No: AG003MU3 MDL No:MFCD00064958
Product Description
Catalog Number:
AG003MU3
Chemical Name:
5-Methoxy-2-tetralone
CAS Number:
32940-15-1
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD00064958
IUPAC Name:
5-methoxy-3,4-dihydro-1H-naphthalen-2-one
InChI:
InChI=1S/C11H12O2/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4H,5-7H2,1H3
InChI Key:
MDAIAXRTLTVEOU-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CCC(=O)C2
NSC Number:
88880
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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