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Home > Aldehydes > 129786-60-3
129786-60-3 | 1-Pyreneacetaldehyde, α-oxo-
CAS No: 129786-60-3 Catalog No: AG000TO5 MDL No:
Product Description
Catalog Number:
AG000TO5
Chemical Name:
1-Pyreneacetaldehyde, α-oxo-
CAS Number:
129786-60-3
Molecular Formula:
C18H10O2
Molecular Weight:
258.2708
IUPAC Name:
oxaldehyde;pyrene
InChI:
InChI=1S/C16H10.C2H2O2/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;3-1-2-4/h1-10H;1-2H
InChI Key:
LTVWXMYCMAEMFA-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.292g/mol
Monoisotopic Mass:
260.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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