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72775-28-1 | Ethanone,1-(7-methoxy-2-naphthalenyl)-
CAS No: 72775-28-1 Catalog No: AG005F12 MDL No:
Product Description
Catalog Number:
AG005F12
Chemical Name:
Ethanone,1-(7-methoxy-2-naphthalenyl)-
CAS Number:
72775-28-1
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
IUPAC Name:
1-(7-methoxynaphthalen-2-yl)ethanone
InChI:
InChI=1S/C13H12O2/c1-9(14)11-4-3-10-5-6-13(15-2)8-12(10)7-11/h3-8H,1-2H3
InChI Key:
SOWWMGCWNOFKST-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(cc2)C(=O)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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