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7396-21-6 | 1-(Anthracen-1-yl)ethanone
CAS No: 7396-21-6 Catalog No: AG005IV0 MDL No:MFCD00183669
Product Description
Catalog Number:
AG005IV0
Chemical Name:
1-(Anthracen-1-yl)ethanone
CAS Number:
7396-21-6
Molecular Formula:
C16H12O
Molecular Weight:
220.2659
MDL Number:
MFCD00183669
IUPAC Name:
1-anthracen-1-ylethanone
InChI:
InChI=1S/C16H12O/c1-11(17)15-8-4-7-14-9-12-5-2-3-6-13(12)10-16(14)15/h2-10H,1H3
InChI Key:
MGRRZBKEFOXFRI-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc2c1cc1ccccc1c2
NSC Number:
407496
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.271g/mol
Monoisotopic Mass:
220.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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