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16603-25-1 | 9(10H)-Anthracenone, 10-(2-cyclohexen-1-yl)-
CAS No: 16603-25-1 Catalog No: AG001WH0 MDL No:
Product Description
Catalog Number:
AG001WH0
Chemical Name:
9(10H)-Anthracenone, 10-(2-cyclohexen-1-yl)-
CAS Number:
16603-25-1
Molecular Formula:
C20H18O
Molecular Weight:
274.3563
IUPAC Name:
10-cyclohex-2-en-1-yl-10H-anthracen-9-one
InChI:
InChI=1S/C20H18O/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h2,4-8,10-14,19H,1,3,9H2
InChI Key:
BRKSYMLWAZLFLY-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(c2c1cccc2)C1CCCC=C1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.363g/mol
Monoisotopic Mass:
274.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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