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139615-57-9 | 2(1H)-Aceanthrylenone, 1,1-dimethyl-
CAS No: 139615-57-9 Catalog No: AG001BEF MDL No:
Product Description
Catalog Number:
AG001BEF
Chemical Name:
2(1H)-Aceanthrylenone, 1,1-dimethyl-
CAS Number:
139615-57-9
Molecular Formula:
C18H14O
Molecular Weight:
246.3032
IUPAC Name:
1,1-dimethylaceanthrylen-2-one
InChI:
InChI=1S/C18H14O/c1-18(2)16-13-8-4-3-6-11(13)10-12-7-5-9-14(15(12)16)17(18)19/h3-10H,1-2H3
InChI Key:
AERZJLUGSIJIPZ-UHFFFAOYSA-N
SMILES:
O=C1c2cccc3c2c(C1(C)C)c1ccccc1c3
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.309g/mol
Monoisotopic Mass:
246.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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