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22138-86-9 | Coronenecarboxaldehyde
CAS No: 22138-86-9 Catalog No: AG006ZU2 MDL No:
Product Description
Catalog Number:
AG006ZU2
Chemical Name:
Coronenecarboxaldehyde
CAS Number:
22138-86-9
Molecular Formula:
C25H12O
Molecular Weight:
328.3622
IUPAC Name:
coronene-1-carbaldehyde
InChI:
InChI=1S/C25H12O/c26-12-18-11-17-8-7-15-4-2-13-1-3-14-5-6-16-9-10-19(18)25-23(16)21(14)20(13)22(15)24(17)25/h1-12H
InChI Key:
ZIBSSYPUGNXJFJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.089g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.37g/mol
Monoisotopic Mass:
328.089g/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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