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2869-59-2 | Dibenzo[def,p]chrysene-10-carboxaldehyde
CAS No: 2869-59-2 Catalog No: AG002W3F MDL No:
Product Description
Catalog Number:
AG002W3F
Chemical Name:
Dibenzo[def,p]chrysene-10-carboxaldehyde
CAS Number:
2869-59-2
Molecular Formula:
C25H14O
Molecular Weight:
330.3781
IUPAC Name:
hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene-16-carbaldehyde
InChI:
InChI=1S/C25H14O/c26-14-22-17-8-2-4-10-20(17)24-19-9-3-1-7-16(19)18-11-5-6-15-12-13-21(22)25(24)23(15)18/h1-14H
InChI Key:
NOWSPGRARFNFMH-UHFFFAOYSA-N
SMILES:
O=Cc1c2ccccc2c2c3c1ccc1c3c(c3c2cccc3)ccc1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.104g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.386g/mol
Monoisotopic Mass:
330.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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