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17216-08-9 | 2-Acetyl-3,4-dihydronaphthalen-1(2H)-one
CAS No: 17216-08-9 Catalog No: AG003GAT MDL No:MFCD00001689
Product Description
Catalog Number:
AG003GAT
Chemical Name:
2-Acetyl-3,4-dihydronaphthalen-1(2H)-one
CAS Number:
17216-08-9
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD00001689
IUPAC Name:
2-acetyl-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C12H12O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-5,10H,6-7H2,1H3
InChI Key:
BSELJBOMYPMBNL-UHFFFAOYSA-N
SMILES:
CC(=O)C1CCc2c(C1=O)cccc2
EC Number:
241-259-1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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