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1469-54-1 | 9,10[1',2']-Benzenoanthracene-9(10H)-carboxaldehyde
CAS No: 1469-54-1 Catalog No: AG001EFM MDL No:
Product Description
Catalog Number:
AG001EFM
Chemical Name:
9,10[1',2']-Benzenoanthracene-9(10H)-carboxaldehyde
CAS Number:
1469-54-1
Molecular Formula:
C21H14O
Molecular Weight:
282.3353
IUPAC Name:
pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-1-carbaldehyde
InChI:
InChI=1S/C21H14O/c22-13-21-17-10-4-1-7-14(17)20(15-8-2-5-11-18(15)21)16-9-3-6-12-19(16)21/h1-13,20H
InChI Key:
YCUJEHWKRVARJN-UHFFFAOYSA-N
SMILES:
O=CC12c3ccccc3C(c3c1cccc3)c1c2cccc1
NSC Number:
122898
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.342g/mol
Monoisotopic Mass:
282.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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