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87901-89-1 | 5-Chrysenecarboxaldehyde, 2-methoxy-
CAS No: 87901-89-1 Catalog No: AG008CBE MDL No:
Product Description
Catalog Number:
AG008CBE
Chemical Name:
5-Chrysenecarboxaldehyde, 2-methoxy-
CAS Number:
87901-89-1
Molecular Formula:
C20H14O2
Molecular Weight:
286.3240
IUPAC Name:
2-methoxychrysene-5-carbaldehyde
InChI:
InChI=1S/C20H14O2/c1-22-16-7-9-18-14(11-16)6-8-19-17-5-3-2-4-13(17)10-15(12-21)20(18)19/h2-12H,1H3
InChI Key:
LORJQNHTYONNEQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc1c2c(C=O)cc2c1cccc2
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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