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96404-79-4 | 2-Triphenylenecarboxaldehyde
CAS No: 96404-79-4 Catalog No: AG006RLV MDL No:
Product Description
Catalog Number:
AG006RLV
Chemical Name:
2-Triphenylenecarboxaldehyde
CAS Number:
96404-79-4
Molecular Formula:
C19H12O
Molecular Weight:
256.2980
IUPAC Name:
triphenylene-2-carbaldehyde
InChI:
InChI=1S/C19H12O/c20-12-13-9-10-18-16-7-2-1-5-14(16)15-6-3-4-8-17(15)19(18)11-13/h1-12H
InChI Key:
NXDGVEYXRSKONY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)c1ccccc1c1c2cccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.304g/mol
Monoisotopic Mass:
256.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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