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87901-90-4 | 5-Chrysenecarboxaldehyde, 8-methoxy-
CAS No: 87901-90-4 Catalog No: AG004IIW MDL No:
Product Description
Catalog Number:
AG004IIW
Chemical Name:
5-Chrysenecarboxaldehyde, 8-methoxy-
CAS Number:
87901-90-4
Molecular Formula:
C20H14O2
Molecular Weight:
286.3240
IUPAC Name:
8-methoxychrysene-5-carbaldehyde
InChI:
InChI=1S/C20H14O2/c1-22-16-7-9-17-14(11-16)10-15(12-21)20-18-5-3-2-4-13(18)6-8-19(17)20/h2-12H,1H3
InChI Key:
SXYARFYCYJLPSC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(c1c2ccc2c1cccc2)C=O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.33g/mol
Monoisotopic Mass:
286.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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