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87901-88-0 | 5-Chrysenecarboxaldehyde
CAS No: 87901-88-0 Catalog No: AG004E09 MDL No:
Product Description
Catalog Number:
AG004E09
Chemical Name:
5-Chrysenecarboxaldehyde
CAS Number:
87901-88-0
Molecular Formula:
C19H12O
Molecular Weight:
256.2980
IUPAC Name:
chrysene-5-carbaldehyde
InChI:
InChI=1S/C19H12O/c20-12-15-11-14-6-2-3-7-16(14)18-10-9-13-5-1-4-8-17(13)19(15)18/h1-12H
InChI Key:
OCFSKRMGFCNUMV-UHFFFAOYSA-N
SMILES:
O=Cc1cc2ccccc2c2c1c1ccccc1cc2
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:
5.1
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